USER MOD reduce.3.24.130724 H: found=0, std=0, add=780, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 780 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 20 HIS : no HE2:sc= -11.4! C(o=-11!,f=-13!) USER MOD Set 1.2: A 83 TYR OH : rot 10:sc= 0.0781 USER MOD Single : A 10 SER OG : rot -26:sc= 0.36 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 14 TYR OH : rot 165:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -156:sc= 0.391 (180deg=0.173) USER MOD Single : A 29 LYS NZ :NH3+ 150:sc= -5.38! (180deg=-6.22!) USER MOD Single : A 37 GLN : amide:sc= -3.89 K(o=-3.9,f=-3.1!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 149:sc= -0.136 (180deg=-0.991) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 92:sc= 0.371 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 58 ASN : amide:sc= -0.148 X(o=-0.15,f=-0.0029) USER MOD Single : A 60 ASN : amide:sc= -0.406 K(o=-0.41,f=-3.3!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 25:sc= 0.0769 USER MOD Single : A 66 TYR OH : rot 180:sc= -0.508 USER MOD Single : A 67 THR OG1 : rot 18:sc= 0.36 USER MOD Single : A 69 LYS NZ :NH3+ 177:sc= 1.09 (180deg=0.989) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 99 N SER A 10 10.128 4.490 5.987 1.00 0.00 N ATOM 100 CA SER A 10 10.356 3.587 7.110 1.00 0.00 C ATOM 101 C SER A 10 9.625 4.076 8.356 1.00 0.00 C ATOM 102 O SER A 10 9.377 3.307 9.285 1.00 0.00 O ATOM 103 CB SER A 10 11.853 3.465 7.398 1.00 0.00 C ATOM 104 OG SER A 10 12.500 4.720 7.274 1.00 0.00 O ATOM 0 HA SER A 10 9.964 2.606 6.841 1.00 0.00 H new ATOM 0 HB2 SER A 10 12.002 3.073 8.404 1.00 0.00 H new ATOM 0 HB3 SER A 10 12.302 2.751 6.708 1.00 0.00 H new ATOM 0 HG SER A 10 11.996 5.288 6.655 1.00 0.00 H new ATOM 110 N GLN A 11 9.282 5.360 8.368 1.00 0.00 N ATOM 111 CA GLN A 11 8.580 5.953 9.501 1.00 0.00 C ATOM 112 C GLN A 11 7.081 5.687 9.411 1.00 0.00 C ATOM 113 O GLN A 11 6.397 5.586 10.429 1.00 0.00 O ATOM 114 CB GLN A 11 8.841 7.459 9.559 1.00 0.00 C ATOM 115 CG GLN A 11 10.144 7.825 10.251 1.00 0.00 C ATOM 116 CD GLN A 11 10.221 9.296 10.609 1.00 0.00 C ATOM 117 OE1 GLN A 11 9.802 10.158 9.836 1.00 0.00 O ATOM 118 NE2 GLN A 11 10.760 9.591 11.787 1.00 0.00 N ATOM 0 H GLN A 11 9.479 6.010 7.607 1.00 0.00 H new ATOM 0 HA GLN A 11 8.958 5.491 10.413 1.00 0.00 H new ATOM 0 HB2 GLN A 11 8.854 7.856 8.544 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.015 7.943 10.080 1.00 0.00 H new ATOM 0 HG2 GLN A 11 10.250 7.228 11.157 1.00 0.00 H new ATOM 0 HG3 GLN A 11 10.981 7.569 9.601 1.00 0.00 H new ATOM 0 HE21 GLN A 11 11.094 8.844 12.396 1.00 0.00 H new ATOM 0 HE22 GLN A 11 10.839 10.564 12.082 1.00 0.00 H new ATOM 127 N ARG A 12 6.577 5.577 8.186 1.00 0.00 N ATOM 128 CA ARG A 12 5.158 5.325 7.964 1.00 0.00 C ATOM 129 C ARG A 12 4.814 3.866 8.248 1.00 0.00 C ATOM 130 O ARG A 12 5.643 2.967 8.104 1.00 0.00 O ATOM 131 CB ARG A 12 4.775 5.679 6.526 1.00 0.00 C ATOM 132 CG ARG A 12 5.132 7.104 6.134 1.00 0.00 C ATOM 133 CD ARG A 12 4.208 8.113 6.799 1.00 0.00 C ATOM 134 NE ARG A 12 4.622 8.415 8.166 1.00 0.00 N ATOM 135 CZ ARG A 12 3.916 9.174 8.997 1.00 0.00 C ATOM 136 NH1 ARG A 12 2.768 9.706 8.600 1.00 0.00 N ATOM 137 NH2 ARG A 12 4.358 9.403 10.227 1.00 0.00 N ATOM 0 H ARG A 12 7.130 5.658 7.333 1.00 0.00 H new ATOM 0 HA ARG A 12 4.591 5.954 8.650 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.273 4.988 5.846 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.702 5.534 6.398 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.164 7.313 6.417 1.00 0.00 H new ATOM 0 HG3 ARG A 12 5.070 7.211 5.051 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.193 9.032 6.213 1.00 0.00 H new ATOM 0 HD3 ARG A 12 3.190 7.723 6.806 1.00 0.00 H new ATOM 0 HE ARG A 12 5.501 8.022 8.501 1.00 0.00 H new ATOM 0 HH11 ARG A 12 2.425 9.533 7.655 1.00 0.00 H new ATOM 0 HH12 ARG A 12 2.228 10.288 9.240 1.00 0.00 H new ATOM 0 HH21 ARG A 12 5.241 8.996 10.536 1.00 0.00 H new ATOM 0 HH22 ARG A 12 3.815 9.986 10.864 1.00 0.00 H new ATOM 151 N PRO A 13 3.562 3.623 8.663 1.00 0.00 N ATOM 152 CA PRO A 13 3.079 2.275 8.977 1.00 0.00 C ATOM 153 C PRO A 13 2.940 1.405 7.732 1.00 0.00 C ATOM 154 O PRO A 13 2.532 1.881 6.672 1.00 0.00 O ATOM 155 CB PRO A 13 1.708 2.527 9.609 1.00 0.00 C ATOM 156 CG PRO A 13 1.268 3.836 9.050 1.00 0.00 C ATOM 157 CD PRO A 13 2.520 4.646 8.857 1.00 0.00 C ATOM 0 HA PRO A 13 3.769 1.736 9.625 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.005 1.733 9.358 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.774 2.563 10.696 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.742 3.700 8.105 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.579 4.338 9.729 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.441 5.308 7.995 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.730 5.274 9.723 1.00 0.00 H new ATOM 165 N TYR A 14 3.280 0.128 7.868 1.00 0.00 N ATOM 166 CA TYR A 14 3.195 -0.808 6.753 1.00 0.00 C ATOM 167 C TYR A 14 1.890 -0.623 5.985 1.00 0.00 C ATOM 168 O TYR A 14 1.892 -0.205 4.827 1.00 0.00 O ATOM 169 CB TYR A 14 3.302 -2.247 7.260 1.00 0.00 C ATOM 170 CG TYR A 14 3.797 -3.221 6.214 1.00 0.00 C ATOM 171 CD1 TYR A 14 4.965 -2.974 5.504 1.00 0.00 C ATOM 172 CD2 TYR A 14 3.096 -4.388 5.937 1.00 0.00 C ATOM 173 CE1 TYR A 14 5.421 -3.861 4.548 1.00 0.00 C ATOM 174 CE2 TYR A 14 3.545 -5.281 4.983 1.00 0.00 C ATOM 175 CZ TYR A 14 4.708 -5.013 4.291 1.00 0.00 C ATOM 176 OH TYR A 14 5.157 -5.900 3.340 1.00 0.00 O ATOM 0 H TYR A 14 3.617 -0.283 8.739 1.00 0.00 H new ATOM 0 HA TYR A 14 4.025 -0.605 6.076 1.00 0.00 H new ATOM 0 HB2 TYR A 14 3.976 -2.273 8.116 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.324 -2.573 7.614 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.526 -2.073 5.703 1.00 0.00 H new ATOM 0 HD2 TYR A 14 2.185 -4.601 6.476 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.331 -3.653 4.005 1.00 0.00 H new ATOM 0 HE2 TYR A 14 2.988 -6.184 4.780 1.00 0.00 H new ATOM 0 HH TYR A 14 4.690 -6.755 3.444 1.00 0.00 H new ATOM 186 N ARG A 15 0.776 -0.938 6.639 1.00 0.00 N ATOM 187 CA ARG A 15 -0.537 -0.808 6.019 1.00 0.00 C ATOM 188 C ARG A 15 -0.564 0.366 5.045 1.00 0.00 C ATOM 189 O ARG A 15 -0.917 0.208 3.876 1.00 0.00 O ATOM 190 CB ARG A 15 -1.613 -0.621 7.090 1.00 0.00 C ATOM 191 CG ARG A 15 -2.895 0.004 6.562 1.00 0.00 C ATOM 192 CD ARG A 15 -3.824 0.409 7.695 1.00 0.00 C ATOM 193 NE ARG A 15 -3.581 1.779 8.140 1.00 0.00 N ATOM 194 CZ ARG A 15 -4.081 2.289 9.259 1.00 0.00 C ATOM 195 NH1 ARG A 15 -4.849 1.546 10.045 1.00 0.00 N ATOM 196 NH2 ARG A 15 -3.814 3.544 9.596 1.00 0.00 N ATOM 0 H ARG A 15 0.757 -1.285 7.598 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.742 -1.723 5.464 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.846 -1.590 7.532 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -1.215 0.006 7.888 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -2.653 0.879 5.958 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -3.404 -0.704 5.908 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -4.859 0.313 7.367 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.691 -0.274 8.534 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.994 2.377 7.558 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -5.057 0.580 9.790 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -5.232 1.940 10.904 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -3.224 4.119 8.995 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -4.199 3.934 10.456 1.00 0.00 H new ATOM 210 N ASP A 16 -0.190 1.543 5.534 1.00 0.00 N ATOM 211 CA ASP A 16 -0.170 2.744 4.707 1.00 0.00 C ATOM 212 C ASP A 16 0.653 2.520 3.443 1.00 0.00 C ATOM 213 O ASP A 16 0.180 2.759 2.332 1.00 0.00 O ATOM 214 CB ASP A 16 0.397 3.924 5.498 1.00 0.00 C ATOM 215 CG ASP A 16 -0.633 4.557 6.412 1.00 0.00 C ATOM 216 OD1 ASP A 16 -1.287 3.814 7.174 1.00 0.00 O ATOM 217 OD2 ASP A 16 -0.785 5.796 6.367 1.00 0.00 O ATOM 0 H ASP A 16 0.104 1.691 6.500 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.195 2.972 4.415 1.00 0.00 H new ATOM 0 HB2 ASP A 16 1.246 3.585 6.092 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.773 4.676 4.804 1.00 0.00 H new ATOM 222 N ARG A 17 1.887 2.060 3.620 1.00 0.00 N ATOM 223 CA ARG A 17 2.777 1.806 2.494 1.00 0.00 C ATOM 224 C ARG A 17 2.141 0.831 1.507 1.00 0.00 C ATOM 225 O ARG A 17 2.399 0.890 0.305 1.00 0.00 O ATOM 226 CB ARG A 17 4.113 1.249 2.987 1.00 0.00 C ATOM 227 CG ARG A 17 4.819 2.153 3.985 1.00 0.00 C ATOM 228 CD ARG A 17 5.892 1.401 4.756 1.00 0.00 C ATOM 229 NE ARG A 17 7.073 1.139 3.937 1.00 0.00 N ATOM 230 CZ ARG A 17 8.133 0.467 4.370 1.00 0.00 C ATOM 231 NH1 ARG A 17 8.161 -0.008 5.607 1.00 0.00 N ATOM 232 NH2 ARG A 17 9.169 0.270 3.565 1.00 0.00 N ATOM 0 H ARG A 17 2.293 1.856 4.533 1.00 0.00 H new ATOM 0 HA ARG A 17 2.952 2.752 1.982 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.943 0.276 3.448 1.00 0.00 H new ATOM 0 HB3 ARG A 17 4.767 1.086 2.131 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.270 2.995 3.459 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.090 2.566 4.682 1.00 0.00 H new ATOM 0 HD2 ARG A 17 6.181 1.980 5.633 1.00 0.00 H new ATOM 0 HD3 ARG A 17 5.484 0.457 5.117 1.00 0.00 H new ATOM 0 HE ARG A 17 7.084 1.492 2.980 1.00 0.00 H new ATOM 0 HH11 ARG A 17 7.367 0.142 6.229 1.00 0.00 H new ATOM 0 HH12 ARG A 17 8.977 -0.524 5.937 1.00 0.00 H new ATOM 0 HH21 ARG A 17 9.152 0.635 2.613 1.00 0.00 H new ATOM 0 HH22 ARG A 17 9.983 -0.246 3.898 1.00 0.00 H new ATOM 246 N VAL A 18 1.307 -0.066 2.024 1.00 0.00 N ATOM 247 CA VAL A 18 0.633 -1.054 1.190 1.00 0.00 C ATOM 248 C VAL A 18 -0.520 -0.424 0.416 1.00 0.00 C ATOM 249 O VAL A 18 -0.531 -0.430 -0.815 1.00 0.00 O ATOM 250 CB VAL A 18 0.093 -2.225 2.031 1.00 0.00 C ATOM 251 CG1 VAL A 18 -0.739 -3.163 1.170 1.00 0.00 C ATOM 252 CG2 VAL A 18 1.238 -2.974 2.697 1.00 0.00 C ATOM 0 H VAL A 18 1.082 -0.129 3.017 1.00 0.00 H new ATOM 0 HA VAL A 18 1.375 -1.434 0.487 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.551 -1.822 2.812 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.112 -3.984 1.782 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.581 -2.616 0.745 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.122 -3.562 0.365 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.839 -3.799 3.288 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.909 -3.366 1.933 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.788 -2.294 3.348 1.00 0.00 H new ATOM 262 N ILE A 19 -1.489 0.118 1.146 1.00 0.00 N ATOM 263 CA ILE A 19 -2.646 0.754 0.528 1.00 0.00 C ATOM 264 C ILE A 19 -2.219 1.855 -0.436 1.00 0.00 C ATOM 265 O ILE A 19 -2.791 2.006 -1.516 1.00 0.00 O ATOM 266 CB ILE A 19 -3.592 1.351 1.586 1.00 0.00 C ATOM 267 CG1 ILE A 19 -2.886 2.465 2.362 1.00 0.00 C ATOM 268 CG2 ILE A 19 -4.081 0.266 2.533 1.00 0.00 C ATOM 269 CD1 ILE A 19 -3.751 3.101 3.428 1.00 0.00 C ATOM 0 H ILE A 19 -1.496 0.129 2.166 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.176 -0.023 -0.024 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.457 1.779 1.079 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.988 2.059 2.828 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.561 3.235 1.662 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.749 0.704 3.275 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.617 -0.496 1.967 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.228 -0.189 3.036 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.186 3.882 3.937 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.637 3.537 2.966 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.055 2.343 4.150 1.00 0.00 H new ATOM 281 N HIS A 20 -1.208 2.622 -0.040 1.00 0.00 N ATOM 282 CA HIS A 20 -0.701 3.709 -0.870 1.00 0.00 C ATOM 283 C HIS A 20 -0.224 3.184 -2.221 1.00 0.00 C ATOM 284 O HIS A 20 -0.237 3.905 -3.219 1.00 0.00 O ATOM 285 CB HIS A 20 0.442 4.433 -0.158 1.00 0.00 C ATOM 286 CG HIS A 20 -0.019 5.525 0.757 1.00 0.00 C ATOM 287 ND1 HIS A 20 -0.051 5.393 2.130 1.00 0.00 N ATOM 288 CD2 HIS A 20 -0.466 6.774 0.491 1.00 0.00 C ATOM 289 CE1 HIS A 20 -0.500 6.513 2.667 1.00 0.00 C ATOM 290 NE2 HIS A 20 -0.759 7.367 1.694 1.00 0.00 N ATOM 0 H HIS A 20 -0.724 2.511 0.851 1.00 0.00 H new ATOM 0 HA HIS A 20 -1.516 4.413 -1.041 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.018 3.708 0.417 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.115 4.855 -0.905 1.00 0.00 H new ATOM 0 HD1 HIS A 20 0.228 4.561 2.649 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.573 7.221 -0.486 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -0.633 6.699 3.723 1.00 0.00 H new ATOM 298 N LEU A 21 0.198 1.924 -2.245 1.00 0.00 N ATOM 299 CA LEU A 21 0.680 1.302 -3.473 1.00 0.00 C ATOM 300 C LEU A 21 -0.465 0.647 -4.238 1.00 0.00 C ATOM 301 O LEU A 21 -0.562 0.772 -5.459 1.00 0.00 O ATOM 302 CB LEU A 21 1.756 0.263 -3.153 1.00 0.00 C ATOM 303 CG LEU A 21 3.116 0.814 -2.722 1.00 0.00 C ATOM 304 CD1 LEU A 21 4.029 -0.313 -2.265 1.00 0.00 C ATOM 305 CD2 LEU A 21 3.758 1.596 -3.859 1.00 0.00 C ATOM 0 H LEU A 21 0.216 1.314 -1.428 1.00 0.00 H new ATOM 0 HA LEU A 21 1.112 2.082 -4.101 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.382 -0.386 -2.361 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.902 -0.362 -4.034 1.00 0.00 H new ATOM 0 HG LEU A 21 2.963 1.492 -1.882 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.992 0.099 -1.962 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.574 -0.830 -1.420 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.177 -1.017 -3.084 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.725 1.981 -3.535 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.898 0.940 -4.718 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.112 2.428 -4.139 1.00 0.00 H new ATOM 317 N LEU A 22 -1.331 -0.051 -3.512 1.00 0.00 N ATOM 318 CA LEU A 22 -2.472 -0.725 -4.121 1.00 0.00 C ATOM 319 C LEU A 22 -3.442 0.285 -4.727 1.00 0.00 C ATOM 320 O LEU A 22 -4.089 0.011 -5.736 1.00 0.00 O ATOM 321 CB LEU A 22 -3.196 -1.585 -3.084 1.00 0.00 C ATOM 322 CG LEU A 22 -2.487 -2.875 -2.670 1.00 0.00 C ATOM 323 CD1 LEU A 22 -3.030 -3.379 -1.341 1.00 0.00 C ATOM 324 CD2 LEU A 22 -2.641 -3.938 -3.748 1.00 0.00 C ATOM 0 H LEU A 22 -1.265 -0.165 -2.501 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.099 -1.367 -4.919 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.360 -0.981 -2.191 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.179 -1.844 -3.478 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.425 -2.661 -2.548 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.514 -4.298 -1.062 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.868 -2.624 -0.572 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.098 -3.577 -1.436 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.130 -4.849 -3.436 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.699 -4.150 -3.902 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.204 -3.578 -4.679 1.00 0.00 H new ATOM 336 N ALA A 23 -3.535 1.455 -4.103 1.00 0.00 N ATOM 337 CA ALA A 23 -4.421 2.508 -4.582 1.00 0.00 C ATOM 338 C ALA A 23 -4.241 2.739 -6.079 1.00 0.00 C ATOM 339 O ALA A 23 -5.162 2.520 -6.867 1.00 0.00 O ATOM 340 CB ALA A 23 -4.173 3.797 -3.813 1.00 0.00 C ATOM 0 H ALA A 23 -3.007 1.697 -3.264 1.00 0.00 H new ATOM 0 HA ALA A 23 -5.449 2.189 -4.412 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.842 4.575 -4.181 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -4.360 3.630 -2.752 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.139 4.111 -3.954 1.00 0.00 H new ATOM 346 N LEU A 24 -3.050 3.182 -6.464 1.00 0.00 N ATOM 347 CA LEU A 24 -2.748 3.444 -7.868 1.00 0.00 C ATOM 348 C LEU A 24 -3.315 2.345 -8.760 1.00 0.00 C ATOM 349 O LEU A 24 -4.003 2.621 -9.744 1.00 0.00 O ATOM 350 CB LEU A 24 -1.236 3.554 -8.073 1.00 0.00 C ATOM 351 CG LEU A 24 -0.605 4.896 -7.700 1.00 0.00 C ATOM 352 CD1 LEU A 24 0.898 4.861 -7.930 1.00 0.00 C ATOM 353 CD2 LEU A 24 -1.242 6.025 -8.497 1.00 0.00 C ATOM 0 H LEU A 24 -2.277 3.368 -5.825 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.215 4.389 -8.145 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.752 2.772 -7.487 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.016 3.350 -9.121 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.786 5.079 -6.641 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.330 5.824 -7.659 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.342 4.078 -7.315 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.101 4.655 -8.981 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.781 6.972 -8.218 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.093 5.848 -9.562 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.310 6.065 -8.282 1.00 0.00 H new ATOM 365 N LYS A 25 -3.024 1.096 -8.410 1.00 0.00 N ATOM 366 CA LYS A 25 -3.507 -0.046 -9.177 1.00 0.00 C ATOM 367 C LYS A 25 -3.434 -1.326 -8.350 1.00 0.00 C ATOM 368 O LYS A 25 -2.843 -1.346 -7.271 1.00 0.00 O ATOM 369 CB LYS A 25 -2.690 -0.208 -10.460 1.00 0.00 C ATOM 370 CG LYS A 25 -1.337 -0.862 -10.241 1.00 0.00 C ATOM 371 CD LYS A 25 -0.717 -1.316 -11.552 1.00 0.00 C ATOM 372 CE LYS A 25 0.400 -2.322 -11.323 1.00 0.00 C ATOM 373 NZ LYS A 25 1.269 -2.469 -12.523 1.00 0.00 N ATOM 0 H LYS A 25 -2.456 0.849 -7.600 1.00 0.00 H new ATOM 0 HA LYS A 25 -4.549 0.138 -9.439 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.261 -0.804 -11.172 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.541 0.773 -10.912 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.668 -0.158 -9.746 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.449 -1.718 -9.575 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.485 -1.762 -12.184 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.325 -0.452 -12.089 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.005 -2.006 -10.473 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.030 -3.290 -11.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.018 -3.163 -12.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.697 -2.795 -13.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.700 -1.551 -12.754 1.00 0.00 H new ATOM 387 N ALA A 26 -4.038 -2.392 -8.864 1.00 0.00 N ATOM 388 CA ALA A 26 -4.037 -3.677 -8.175 1.00 0.00 C ATOM 389 C ALA A 26 -2.648 -4.305 -8.185 1.00 0.00 C ATOM 390 O ALA A 26 -1.980 -4.341 -9.218 1.00 0.00 O ATOM 391 CB ALA A 26 -5.049 -4.618 -8.812 1.00 0.00 C ATOM 0 H ALA A 26 -4.534 -2.391 -9.755 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.321 -3.505 -7.137 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.038 -5.574 -8.288 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.045 -4.180 -8.746 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.790 -4.776 -9.859 1.00 0.00 H new ATOM 397 N TYR A 27 -2.219 -4.798 -7.029 1.00 0.00 N ATOM 398 CA TYR A 27 -0.907 -5.422 -6.904 1.00 0.00 C ATOM 399 C TYR A 27 -1.028 -6.839 -6.351 1.00 0.00 C ATOM 400 O TYR A 27 -1.977 -7.160 -5.636 1.00 0.00 O ATOM 401 CB TYR A 27 -0.004 -4.584 -5.996 1.00 0.00 C ATOM 402 CG TYR A 27 0.808 -3.548 -6.740 1.00 0.00 C ATOM 403 CD1 TYR A 27 0.240 -2.343 -7.136 1.00 0.00 C ATOM 404 CD2 TYR A 27 2.145 -3.773 -7.046 1.00 0.00 C ATOM 405 CE1 TYR A 27 0.978 -1.395 -7.816 1.00 0.00 C ATOM 406 CE2 TYR A 27 2.891 -2.829 -7.724 1.00 0.00 C ATOM 407 CZ TYR A 27 2.303 -1.642 -8.108 1.00 0.00 C ATOM 408 OH TYR A 27 3.042 -0.699 -8.784 1.00 0.00 O ATOM 0 H TYR A 27 -2.760 -4.778 -6.165 1.00 0.00 H new ATOM 0 HA TYR A 27 -0.463 -5.476 -7.898 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.619 -4.083 -5.248 1.00 0.00 H new ATOM 0 HB3 TYR A 27 0.674 -5.248 -5.459 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -0.797 -2.145 -6.908 1.00 0.00 H new ATOM 0 HD2 TYR A 27 2.608 -4.702 -6.748 1.00 0.00 H new ATOM 0 HE1 TYR A 27 0.520 -0.465 -8.118 1.00 0.00 H new ATOM 0 HE2 TYR A 27 3.929 -3.019 -7.952 1.00 0.00 H new ATOM 0 HH TYR A 27 3.957 -1.028 -8.909 1.00 0.00 H new ATOM 418 N LYS A 28 -0.058 -7.683 -6.688 1.00 0.00 N ATOM 419 CA LYS A 28 -0.052 -9.065 -6.226 1.00 0.00 C ATOM 420 C LYS A 28 0.804 -9.216 -4.972 1.00 0.00 C ATOM 421 O LYS A 28 1.803 -8.518 -4.802 1.00 0.00 O ATOM 422 CB LYS A 28 0.470 -9.991 -7.327 1.00 0.00 C ATOM 423 CG LYS A 28 -0.346 -9.934 -8.607 1.00 0.00 C ATOM 424 CD LYS A 28 0.203 -8.897 -9.572 1.00 0.00 C ATOM 425 CE LYS A 28 -0.895 -8.314 -10.448 1.00 0.00 C ATOM 426 NZ LYS A 28 -0.341 -7.506 -11.569 1.00 0.00 N ATOM 0 H LYS A 28 0.734 -7.433 -7.280 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.077 -9.344 -5.981 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.503 -9.727 -7.553 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.477 -11.016 -6.956 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.344 -10.914 -9.085 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.383 -9.697 -8.368 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.686 -8.097 -9.011 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.968 -9.353 -10.201 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.506 -9.122 -10.850 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.551 -7.690 -9.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.053 -6.817 -11.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.509 -7.002 -11.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.092 -8.134 -12.360 1.00 0.00 H new ATOM 440 N LYS A 29 0.406 -10.134 -4.097 1.00 0.00 N ATOM 441 CA LYS A 29 1.138 -10.379 -2.859 1.00 0.00 C ATOM 442 C LYS A 29 2.637 -10.189 -3.067 1.00 0.00 C ATOM 443 O LYS A 29 3.290 -9.409 -2.373 1.00 0.00 O ATOM 444 CB LYS A 29 0.858 -11.795 -2.350 1.00 0.00 C ATOM 445 CG LYS A 29 1.913 -12.314 -1.389 1.00 0.00 C ATOM 446 CD LYS A 29 1.554 -12.004 0.055 1.00 0.00 C ATOM 447 CE LYS A 29 2.087 -10.645 0.482 1.00 0.00 C ATOM 448 NZ LYS A 29 3.483 -10.732 0.992 1.00 0.00 N ATOM 0 H LYS A 29 -0.419 -10.720 -4.222 1.00 0.00 H new ATOM 0 HA LYS A 29 0.798 -9.658 -2.116 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.112 -11.809 -1.853 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.790 -12.472 -3.202 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.022 -13.391 -1.514 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.877 -11.866 -1.629 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.471 -12.025 0.174 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.962 -12.777 0.706 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.052 -9.959 -0.364 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.443 -10.229 1.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.980 -9.839 0.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.468 -10.904 2.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.978 -11.514 0.517 1.00 0.00 H new ATOM 462 N PRO A 30 3.197 -10.916 -4.045 1.00 0.00 N ATOM 463 CA PRO A 30 4.625 -10.842 -4.368 1.00 0.00 C ATOM 464 C PRO A 30 5.008 -9.510 -5.004 1.00 0.00 C ATOM 465 O PRO A 30 5.957 -8.857 -4.574 1.00 0.00 O ATOM 466 CB PRO A 30 4.823 -11.988 -5.364 1.00 0.00 C ATOM 467 CG PRO A 30 3.483 -12.186 -5.985 1.00 0.00 C ATOM 468 CD PRO A 30 2.479 -11.865 -4.912 1.00 0.00 C ATOM 0 HA PRO A 30 5.249 -10.920 -3.478 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.573 -11.736 -6.113 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.165 -12.894 -4.863 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.353 -11.534 -6.849 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.364 -13.210 -6.338 1.00 0.00 H new ATOM 0 HD2 PRO A 30 1.574 -11.423 -5.328 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.176 -12.758 -4.366 1.00 0.00 H new ATOM 476 N GLU A 31 4.262 -9.114 -6.031 1.00 0.00 N ATOM 477 CA GLU A 31 4.525 -7.860 -6.726 1.00 0.00 C ATOM 478 C GLU A 31 4.564 -6.692 -5.745 1.00 0.00 C ATOM 479 O GLU A 31 5.602 -6.054 -5.562 1.00 0.00 O ATOM 480 CB GLU A 31 3.457 -7.609 -7.793 1.00 0.00 C ATOM 481 CG GLU A 31 3.880 -6.606 -8.854 1.00 0.00 C ATOM 482 CD GLU A 31 3.148 -6.802 -10.167 1.00 0.00 C ATOM 483 OE1 GLU A 31 3.574 -7.666 -10.961 1.00 0.00 O ATOM 484 OE2 GLU A 31 2.148 -6.091 -10.400 1.00 0.00 O ATOM 0 H GLU A 31 3.472 -9.643 -6.399 1.00 0.00 H new ATOM 0 HA GLU A 31 5.499 -7.939 -7.209 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.209 -8.554 -8.277 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.548 -7.251 -7.309 1.00 0.00 H new ATOM 0 HG2 GLU A 31 3.697 -5.596 -8.487 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.953 -6.693 -9.024 1.00 0.00 H new ATOM 491 N LEU A 32 3.426 -6.417 -5.117 1.00 0.00 N ATOM 492 CA LEU A 32 3.328 -5.325 -4.154 1.00 0.00 C ATOM 493 C LEU A 32 4.613 -5.200 -3.340 1.00 0.00 C ATOM 494 O LEU A 32 5.146 -4.103 -3.167 1.00 0.00 O ATOM 495 CB LEU A 32 2.139 -5.548 -3.219 1.00 0.00 C ATOM 496 CG LEU A 32 1.466 -4.287 -2.675 1.00 0.00 C ATOM 497 CD1 LEU A 32 0.423 -4.647 -1.629 1.00 0.00 C ATOM 498 CD2 LEU A 32 2.504 -3.339 -2.092 1.00 0.00 C ATOM 0 H LEU A 32 2.558 -6.935 -5.257 1.00 0.00 H new ATOM 0 HA LEU A 32 3.178 -4.398 -4.707 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.390 -6.135 -3.750 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.475 -6.150 -2.374 1.00 0.00 H new ATOM 0 HG LEU A 32 0.963 -3.782 -3.500 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.045 -3.737 -1.254 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.337 -5.287 -2.078 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.902 -5.175 -0.805 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.008 -2.447 -1.709 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.035 -3.836 -1.280 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.214 -3.054 -2.869 1.00 0.00 H new ATOM 510 N LEU A 33 5.105 -6.330 -2.845 1.00 0.00 N ATOM 511 CA LEU A 33 6.329 -6.348 -2.052 1.00 0.00 C ATOM 512 C LEU A 33 7.487 -5.723 -2.822 1.00 0.00 C ATOM 513 O LEU A 33 8.105 -4.762 -2.363 1.00 0.00 O ATOM 514 CB LEU A 33 6.681 -7.782 -1.654 1.00 0.00 C ATOM 515 CG LEU A 33 5.989 -8.321 -0.401 1.00 0.00 C ATOM 516 CD1 LEU A 33 6.045 -9.841 -0.372 1.00 0.00 C ATOM 517 CD2 LEU A 33 6.626 -7.738 0.852 1.00 0.00 C ATOM 0 H LEU A 33 4.675 -7.245 -2.979 1.00 0.00 H new ATOM 0 HA LEU A 33 6.157 -5.759 -1.151 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.439 -8.439 -2.489 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.759 -7.842 -1.503 1.00 0.00 H new ATOM 0 HG LEU A 33 4.943 -8.017 -0.428 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.548 -10.206 0.527 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.542 -10.240 -1.253 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.085 -10.167 -0.369 1.00 0.00 H new ATOM 0 HD21 LEU A 33 6.121 -8.132 1.734 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.681 -8.011 0.885 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.533 -6.652 0.836 1.00 0.00 H new ATOM 529 N ALA A 34 7.775 -6.273 -3.997 1.00 0.00 N ATOM 530 CA ALA A 34 8.856 -5.766 -4.834 1.00 0.00 C ATOM 531 C ALA A 34 8.979 -4.251 -4.714 1.00 0.00 C ATOM 532 O ALA A 34 10.083 -3.706 -4.727 1.00 0.00 O ATOM 533 CB ALA A 34 8.632 -6.166 -6.285 1.00 0.00 C ATOM 0 H ALA A 34 7.275 -7.070 -4.391 1.00 0.00 H new ATOM 0 HA ALA A 34 9.789 -6.209 -4.486 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.446 -5.781 -6.898 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.602 -7.253 -6.362 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.687 -5.751 -6.635 1.00 0.00 H new ATOM 539 N ARG A 35 7.840 -3.577 -4.598 1.00 0.00 N ATOM 540 CA ARG A 35 7.821 -2.124 -4.477 1.00 0.00 C ATOM 541 C ARG A 35 8.239 -1.689 -3.076 1.00 0.00 C ATOM 542 O ARG A 35 9.030 -0.759 -2.913 1.00 0.00 O ATOM 543 CB ARG A 35 6.426 -1.583 -4.796 1.00 0.00 C ATOM 544 CG ARG A 35 6.198 -1.320 -6.276 1.00 0.00 C ATOM 545 CD ARG A 35 6.870 -0.032 -6.723 1.00 0.00 C ATOM 546 NE ARG A 35 6.346 0.444 -8.000 1.00 0.00 N ATOM 547 CZ ARG A 35 6.578 -0.160 -9.161 1.00 0.00 C ATOM 548 NH1 ARG A 35 7.320 -1.258 -9.203 1.00 0.00 N ATOM 549 NH2 ARG A 35 6.066 0.333 -10.281 1.00 0.00 N ATOM 0 H ARG A 35 6.918 -4.013 -4.585 1.00 0.00 H new ATOM 0 HA ARG A 35 8.534 -1.716 -5.193 1.00 0.00 H new ATOM 0 HB2 ARG A 35 5.680 -2.295 -4.443 1.00 0.00 H new ATOM 0 HB3 ARG A 35 6.269 -0.657 -4.243 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.586 -2.155 -6.859 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.128 -1.262 -6.476 1.00 0.00 H new ATOM 0 HD2 ARG A 35 6.725 0.735 -5.963 1.00 0.00 H new ATOM 0 HD3 ARG A 35 7.944 -0.195 -6.810 1.00 0.00 H new ATOM 0 HE ARG A 35 5.770 1.286 -8.001 1.00 0.00 H new ATOM 0 HH11 ARG A 35 7.714 -1.641 -8.343 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.497 -1.720 -10.095 1.00 0.00 H new ATOM 0 HH21 ARG A 35 5.493 1.177 -10.252 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.245 -0.132 -11.171 1.00 0.00 H new ATOM 563 N LEU A 36 7.703 -2.367 -2.067 1.00 0.00 N ATOM 564 CA LEU A 36 8.019 -2.051 -0.679 1.00 0.00 C ATOM 565 C LEU A 36 9.422 -2.529 -0.317 1.00 0.00 C ATOM 566 O LEU A 36 10.269 -1.738 0.097 1.00 0.00 O ATOM 567 CB LEU A 36 6.993 -2.691 0.258 1.00 0.00 C ATOM 568 CG LEU A 36 5.570 -2.138 0.173 1.00 0.00 C ATOM 569 CD1 LEU A 36 4.584 -3.102 0.814 1.00 0.00 C ATOM 570 CD2 LEU A 36 5.490 -0.770 0.836 1.00 0.00 C ATOM 0 H LEU A 36 7.047 -3.139 -2.185 1.00 0.00 H new ATOM 0 HA LEU A 36 7.982 -0.968 -0.562 1.00 0.00 H new ATOM 0 HB2 LEU A 36 6.959 -3.761 0.051 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.345 -2.576 1.283 1.00 0.00 H new ATOM 0 HG LEU A 36 5.305 -2.026 -0.878 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.577 -2.692 0.744 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.623 -4.060 0.296 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.845 -3.246 1.862 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.470 -0.391 0.766 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.774 -0.857 1.885 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.168 -0.081 0.332 1.00 0.00 H new ATOM 582 N GLN A 37 9.659 -3.826 -0.479 1.00 0.00 N ATOM 583 CA GLN A 37 10.960 -4.409 -0.172 1.00 0.00 C ATOM 584 C GLN A 37 12.088 -3.468 -0.581 1.00 0.00 C ATOM 585 O GLN A 37 13.116 -3.384 0.092 1.00 0.00 O ATOM 586 CB GLN A 37 11.120 -5.755 -0.881 1.00 0.00 C ATOM 587 CG GLN A 37 10.360 -6.889 -0.213 1.00 0.00 C ATOM 588 CD GLN A 37 11.209 -7.653 0.784 1.00 0.00 C ATOM 589 OE1 GLN A 37 11.045 -8.861 0.958 1.00 0.00 O ATOM 590 NE2 GLN A 37 12.123 -6.952 1.444 1.00 0.00 N ATOM 0 H GLN A 37 8.968 -4.493 -0.821 1.00 0.00 H new ATOM 0 HA GLN A 37 11.015 -4.566 0.905 1.00 0.00 H new ATOM 0 HB2 GLN A 37 10.777 -5.657 -1.911 1.00 0.00 H new ATOM 0 HB3 GLN A 37 12.179 -6.012 -0.920 1.00 0.00 H new ATOM 0 HG2 GLN A 37 9.485 -6.485 0.295 1.00 0.00 H new ATOM 0 HG3 GLN A 37 9.996 -7.576 -0.976 1.00 0.00 H new ATOM 0 HE21 GLN A 37 12.224 -5.952 1.268 1.00 0.00 H new ATOM 0 HE22 GLN A 37 12.724 -7.413 2.127 1.00 0.00 H new ATOM 599 N LYS A 38 11.890 -2.761 -1.688 1.00 0.00 N ATOM 600 CA LYS A 38 12.890 -1.824 -2.188 1.00 0.00 C ATOM 601 C LYS A 38 13.435 -0.956 -1.058 1.00 0.00 C ATOM 602 O LYS A 38 14.639 -0.937 -0.803 1.00 0.00 O ATOM 603 CB LYS A 38 12.287 -0.938 -3.280 1.00 0.00 C ATOM 604 CG LYS A 38 12.318 -1.570 -4.661 1.00 0.00 C ATOM 605 CD LYS A 38 11.427 -0.820 -5.637 1.00 0.00 C ATOM 606 CE LYS A 38 11.692 -1.245 -7.074 1.00 0.00 C ATOM 607 NZ LYS A 38 11.395 -0.151 -8.039 1.00 0.00 N ATOM 0 H LYS A 38 11.045 -2.819 -2.257 1.00 0.00 H new ATOM 0 HA LYS A 38 13.713 -2.400 -2.610 1.00 0.00 H new ATOM 0 HB2 LYS A 38 11.255 -0.706 -3.019 1.00 0.00 H new ATOM 0 HB3 LYS A 38 12.829 0.007 -3.310 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.342 -1.580 -5.035 1.00 0.00 H new ATOM 0 HG3 LYS A 38 11.993 -2.608 -4.594 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.381 -1.002 -5.390 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.597 0.252 -5.536 1.00 0.00 H new ATOM 0 HE2 LYS A 38 12.734 -1.547 -7.177 1.00 0.00 H new ATOM 0 HE3 LYS A 38 11.082 -2.116 -7.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 11.588 -0.480 -9.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 10.394 0.120 -7.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 11.995 0.672 -7.827 1.00 0.00 H new ATOM 621 N ASP A 39 12.542 -0.241 -0.383 1.00 0.00 N ATOM 622 CA ASP A 39 12.933 0.626 0.721 1.00 0.00 C ATOM 623 C ASP A 39 13.199 -0.188 1.984 1.00 0.00 C ATOM 624 O ASP A 39 13.838 0.291 2.920 1.00 0.00 O ATOM 625 CB ASP A 39 11.846 1.667 0.990 1.00 0.00 C ATOM 626 CG ASP A 39 12.034 2.927 0.167 1.00 0.00 C ATOM 627 OD1 ASP A 39 11.646 2.924 -1.020 1.00 0.00 O ATOM 628 OD2 ASP A 39 12.568 3.916 0.711 1.00 0.00 O ATOM 0 H ASP A 39 11.542 -0.245 -0.582 1.00 0.00 H new ATOM 0 HA ASP A 39 13.853 1.138 0.440 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.870 1.234 0.769 1.00 0.00 H new ATOM 0 HB3 ASP A 39 11.848 1.925 2.049 1.00 0.00 H new ATOM 633 N GLY A 40 12.702 -1.421 2.002 1.00 0.00 N ATOM 634 CA GLY A 40 12.896 -2.281 3.155 1.00 0.00 C ATOM 635 C GLY A 40 11.592 -2.851 3.678 1.00 0.00 C ATOM 636 O GLY A 40 10.613 -2.125 3.852 1.00 0.00 O ATOM 0 H GLY A 40 12.169 -1.839 1.240 1.00 0.00 H new ATOM 0 HA2 GLY A 40 13.565 -3.099 2.886 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.386 -1.716 3.948 1.00 0.00 H new ATOM 640 N VAL A 41 11.577 -4.157 3.929 1.00 0.00 N ATOM 641 CA VAL A 41 10.384 -4.824 4.434 1.00 0.00 C ATOM 642 C VAL A 41 10.738 -5.839 5.516 1.00 0.00 C ATOM 643 O VAL A 41 11.460 -6.802 5.264 1.00 0.00 O ATOM 644 CB VAL A 41 9.620 -5.540 3.304 1.00 0.00 C ATOM 645 CG1 VAL A 41 8.652 -6.563 3.879 1.00 0.00 C ATOM 646 CG2 VAL A 41 8.887 -4.531 2.434 1.00 0.00 C ATOM 0 H VAL A 41 12.378 -4.773 3.791 1.00 0.00 H new ATOM 0 HA VAL A 41 9.746 -4.050 4.860 1.00 0.00 H new ATOM 0 HB VAL A 41 10.341 -6.068 2.679 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.121 -7.059 3.066 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.206 -7.304 4.456 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.934 -6.060 4.528 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.353 -5.054 1.641 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.176 -3.973 3.044 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.606 -3.841 1.993 1.00 0.00 H new ATOM 656 N ASN A 42 10.223 -5.615 6.720 1.00 0.00 N ATOM 657 CA ASN A 42 10.486 -6.510 7.842 1.00 0.00 C ATOM 658 C ASN A 42 9.998 -7.923 7.535 1.00 0.00 C ATOM 659 O ASN A 42 8.953 -8.108 6.912 1.00 0.00 O ATOM 660 CB ASN A 42 9.805 -5.988 9.108 1.00 0.00 C ATOM 661 CG ASN A 42 10.693 -5.042 9.894 1.00 0.00 C ATOM 662 OD1 ASN A 42 11.635 -5.469 10.562 1.00 0.00 O ATOM 663 ND2 ASN A 42 10.396 -3.750 9.816 1.00 0.00 N ATOM 0 H ASN A 42 9.622 -4.822 6.944 1.00 0.00 H new ATOM 0 HA ASN A 42 11.563 -6.543 8.004 1.00 0.00 H new ATOM 0 HB2 ASN A 42 8.883 -5.475 8.836 1.00 0.00 H new ATOM 0 HB3 ASN A 42 9.526 -6.830 9.741 1.00 0.00 H new ATOM 0 HD21 ASN A 42 10.958 -3.066 10.322 1.00 0.00 H new ATOM 0 HD22 ASN A 42 9.606 -3.442 9.250 1.00 0.00 H new ATOM 670 N GLN A 43 10.763 -8.916 7.978 1.00 0.00 N ATOM 671 CA GLN A 43 10.409 -10.312 7.751 1.00 0.00 C ATOM 672 C GLN A 43 9.102 -10.664 8.454 1.00 0.00 C ATOM 673 O GLN A 43 8.279 -11.409 7.922 1.00 0.00 O ATOM 674 CB GLN A 43 11.529 -11.231 8.242 1.00 0.00 C ATOM 675 CG GLN A 43 11.593 -12.559 7.506 1.00 0.00 C ATOM 676 CD GLN A 43 12.795 -13.392 7.907 1.00 0.00 C ATOM 677 OE1 GLN A 43 12.809 -14.009 8.973 1.00 0.00 O ATOM 678 NE2 GLN A 43 13.812 -13.413 7.054 1.00 0.00 N ATOM 0 H GLN A 43 11.631 -8.780 8.496 1.00 0.00 H new ATOM 0 HA GLN A 43 10.274 -10.456 6.679 1.00 0.00 H new ATOM 0 HB2 GLN A 43 12.484 -10.717 8.131 1.00 0.00 H new ATOM 0 HB3 GLN A 43 11.391 -11.421 9.306 1.00 0.00 H new ATOM 0 HG2 GLN A 43 10.682 -13.124 7.704 1.00 0.00 H new ATOM 0 HG3 GLN A 43 11.626 -12.374 6.432 1.00 0.00 H new ATOM 0 HE21 GLN A 43 13.757 -12.887 6.182 1.00 0.00 H new ATOM 0 HE22 GLN A 43 14.648 -13.956 7.271 1.00 0.00 H new ATOM 687 N LYS A 44 8.916 -10.122 9.653 1.00 0.00 N ATOM 688 CA LYS A 44 7.709 -10.377 10.430 1.00 0.00 C ATOM 689 C LYS A 44 6.487 -9.763 9.753 1.00 0.00 C ATOM 690 O LYS A 44 5.363 -10.227 9.943 1.00 0.00 O ATOM 691 CB LYS A 44 7.859 -9.812 11.844 1.00 0.00 C ATOM 692 CG LYS A 44 8.139 -8.320 11.877 1.00 0.00 C ATOM 693 CD LYS A 44 7.674 -7.694 13.181 1.00 0.00 C ATOM 694 CE LYS A 44 8.736 -7.808 14.264 1.00 0.00 C ATOM 695 NZ LYS A 44 9.696 -6.670 14.222 1.00 0.00 N ATOM 0 H LYS A 44 9.587 -9.503 10.108 1.00 0.00 H new ATOM 0 HA LYS A 44 7.566 -11.456 10.490 1.00 0.00 H new ATOM 0 HB2 LYS A 44 6.947 -10.014 12.406 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.669 -10.336 12.352 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.208 -8.147 11.750 1.00 0.00 H new ATOM 0 HG3 LYS A 44 7.636 -7.836 11.040 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.432 -6.644 13.016 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.759 -8.183 13.515 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.255 -7.842 15.242 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.279 -8.746 14.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 10.404 -6.785 14.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 10.174 -6.653 13.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 9.182 -5.777 14.363 1.00 0.00 H new ATOM 709 N ASP A 45 6.716 -8.719 8.964 1.00 0.00 N ATOM 710 CA ASP A 45 5.634 -8.044 8.257 1.00 0.00 C ATOM 711 C ASP A 45 5.373 -8.702 6.906 1.00 0.00 C ATOM 712 O ASP A 45 4.260 -8.649 6.381 1.00 0.00 O ATOM 713 CB ASP A 45 5.969 -6.564 8.062 1.00 0.00 C ATOM 714 CG ASP A 45 5.568 -5.718 9.254 1.00 0.00 C ATOM 715 OD1 ASP A 45 4.607 -6.097 9.955 1.00 0.00 O ATOM 716 OD2 ASP A 45 6.216 -4.675 9.486 1.00 0.00 O ATOM 0 H ASP A 45 7.641 -8.322 8.798 1.00 0.00 H new ATOM 0 HA ASP A 45 4.731 -8.128 8.861 1.00 0.00 H new ATOM 0 HB2 ASP A 45 7.040 -6.457 7.888 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.462 -6.194 7.171 1.00 0.00 H new ATOM 721 N LYS A 46 6.406 -9.322 6.347 1.00 0.00 N ATOM 722 CA LYS A 46 6.291 -9.991 5.056 1.00 0.00 C ATOM 723 C LYS A 46 5.090 -10.932 5.037 1.00 0.00 C ATOM 724 O LYS A 46 4.260 -10.875 4.131 1.00 0.00 O ATOM 725 CB LYS A 46 7.569 -10.773 4.748 1.00 0.00 C ATOM 726 CG LYS A 46 8.672 -9.921 4.144 1.00 0.00 C ATOM 727 CD LYS A 46 9.561 -10.734 3.217 1.00 0.00 C ATOM 728 CE LYS A 46 10.499 -11.641 3.998 1.00 0.00 C ATOM 729 NZ LYS A 46 9.834 -12.909 4.406 1.00 0.00 N ATOM 0 H LYS A 46 7.334 -9.375 6.768 1.00 0.00 H new ATOM 0 HA LYS A 46 6.146 -9.228 4.291 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.936 -11.230 5.667 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.331 -11.585 4.061 1.00 0.00 H new ATOM 0 HG2 LYS A 46 8.231 -9.091 3.591 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.276 -9.488 4.941 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.941 -11.336 2.552 1.00 0.00 H new ATOM 0 HD3 LYS A 46 10.144 -10.061 2.588 1.00 0.00 H new ATOM 0 HE2 LYS A 46 11.374 -11.870 3.389 1.00 0.00 H new ATOM 0 HE3 LYS A 46 10.856 -11.117 4.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 10.538 -13.674 4.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 9.404 -12.789 5.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 9.095 -13.151 3.715 1.00 0.00 H new ATOM 743 N ASN A 47 5.004 -11.796 6.044 1.00 0.00 N ATOM 744 CA ASN A 47 3.904 -12.748 6.142 1.00 0.00 C ATOM 745 C ASN A 47 2.600 -12.038 6.491 1.00 0.00 C ATOM 746 O ASN A 47 1.535 -12.388 5.981 1.00 0.00 O ATOM 747 CB ASN A 47 4.216 -13.812 7.196 1.00 0.00 C ATOM 748 CG ASN A 47 2.970 -14.527 7.682 1.00 0.00 C ATOM 749 OD1 ASN A 47 2.368 -15.315 6.952 1.00 0.00 O ATOM 750 ND2 ASN A 47 2.577 -14.255 8.921 1.00 0.00 N ATOM 0 H ASN A 47 5.683 -11.856 6.803 1.00 0.00 H new ATOM 0 HA ASN A 47 3.786 -13.230 5.172 1.00 0.00 H new ATOM 0 HB2 ASN A 47 4.910 -14.541 6.778 1.00 0.00 H new ATOM 0 HB3 ASN A 47 4.717 -13.344 8.043 1.00 0.00 H new ATOM 0 HD21 ASN A 47 1.746 -14.706 9.303 1.00 0.00 H new ATOM 0 HD22 ASN A 47 3.107 -13.595 9.491 1.00 0.00 H new ATOM 757 N SER A 48 2.691 -11.038 7.362 1.00 0.00 N ATOM 758 CA SER A 48 1.517 -10.281 7.781 1.00 0.00 C ATOM 759 C SER A 48 0.901 -9.536 6.601 1.00 0.00 C ATOM 760 O SER A 48 -0.308 -9.307 6.559 1.00 0.00 O ATOM 761 CB SER A 48 1.892 -9.289 8.885 1.00 0.00 C ATOM 762 OG SER A 48 2.328 -9.966 10.051 1.00 0.00 O ATOM 0 H SER A 48 3.565 -10.733 7.791 1.00 0.00 H new ATOM 0 HA SER A 48 0.780 -10.985 8.168 1.00 0.00 H new ATOM 0 HB2 SER A 48 2.680 -8.625 8.530 1.00 0.00 H new ATOM 0 HB3 SER A 48 1.032 -8.663 9.124 1.00 0.00 H new ATOM 0 HG SER A 48 3.302 -10.073 10.022 1.00 0.00 H new ATOM 768 N LEU A 49 1.741 -9.161 5.643 1.00 0.00 N ATOM 769 CA LEU A 49 1.281 -8.442 4.460 1.00 0.00 C ATOM 770 C LEU A 49 0.001 -9.062 3.910 1.00 0.00 C ATOM 771 O LEU A 49 -0.948 -8.356 3.573 1.00 0.00 O ATOM 772 CB LEU A 49 2.367 -8.444 3.383 1.00 0.00 C ATOM 773 CG LEU A 49 2.297 -7.313 2.357 1.00 0.00 C ATOM 774 CD1 LEU A 49 3.214 -7.603 1.179 1.00 0.00 C ATOM 775 CD2 LEU A 49 0.865 -7.110 1.883 1.00 0.00 C ATOM 0 H LEU A 49 2.744 -9.343 5.662 1.00 0.00 H new ATOM 0 HA LEU A 49 1.069 -7.413 4.750 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.339 -8.401 3.875 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.321 -9.394 2.851 1.00 0.00 H new ATOM 0 HG LEU A 49 2.634 -6.393 2.836 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.151 -6.787 0.459 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.241 -7.697 1.532 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.908 -8.533 0.700 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.835 -6.301 1.153 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.501 -8.028 1.422 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.233 -6.855 2.734 1.00 0.00 H new ATOM 787 N GLY A 50 -0.018 -10.389 3.823 1.00 0.00 N ATOM 788 CA GLY A 50 -1.187 -11.082 3.315 1.00 0.00 C ATOM 789 C GLY A 50 -2.443 -10.753 4.098 1.00 0.00 C ATOM 790 O GLY A 50 -3.536 -10.695 3.536 1.00 0.00 O ATOM 0 H GLY A 50 0.755 -10.996 4.095 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -1.336 -10.818 2.268 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.012 -12.157 3.350 1.00 0.00 H new ATOM 794 N ALA A 51 -2.286 -10.539 5.400 1.00 0.00 N ATOM 795 CA ALA A 51 -3.416 -10.214 6.262 1.00 0.00 C ATOM 796 C ALA A 51 -3.941 -8.812 5.974 1.00 0.00 C ATOM 797 O ALA A 51 -5.150 -8.601 5.872 1.00 0.00 O ATOM 798 CB ALA A 51 -3.017 -10.340 7.725 1.00 0.00 C ATOM 0 H ALA A 51 -1.388 -10.585 5.881 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.217 -10.923 6.053 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.870 -10.094 8.357 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.697 -11.362 7.928 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.197 -9.654 7.939 1.00 0.00 H new ATOM 804 N ILE A 52 -3.026 -7.858 5.845 1.00 0.00 N ATOM 805 CA ILE A 52 -3.398 -6.476 5.568 1.00 0.00 C ATOM 806 C ILE A 52 -4.051 -6.347 4.196 1.00 0.00 C ATOM 807 O ILE A 52 -5.047 -5.640 4.035 1.00 0.00 O ATOM 808 CB ILE A 52 -2.176 -5.540 5.632 1.00 0.00 C ATOM 809 CG1 ILE A 52 -1.523 -5.612 7.014 1.00 0.00 C ATOM 810 CG2 ILE A 52 -2.585 -4.112 5.307 1.00 0.00 C ATOM 811 CD1 ILE A 52 -0.096 -5.112 7.035 1.00 0.00 C ATOM 0 H ILE A 52 -2.022 -8.016 5.928 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.112 -6.181 6.337 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.448 -5.866 4.889 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.115 -5.026 7.717 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.543 -6.644 7.363 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.711 -3.463 5.356 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.009 -4.074 4.303 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.329 -3.774 6.028 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.303 -5.193 8.046 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.510 -5.713 6.357 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.071 -4.070 6.717 1.00 0.00 H new ATOM 823 N LEU A 53 -3.485 -7.034 3.210 1.00 0.00 N ATOM 824 CA LEU A 53 -4.014 -6.999 1.851 1.00 0.00 C ATOM 825 C LEU A 53 -5.512 -7.287 1.842 1.00 0.00 C ATOM 826 O LEU A 53 -6.250 -6.754 1.014 1.00 0.00 O ATOM 827 CB LEU A 53 -3.282 -8.013 0.971 1.00 0.00 C ATOM 828 CG LEU A 53 -1.969 -7.538 0.349 1.00 0.00 C ATOM 829 CD1 LEU A 53 -1.131 -8.725 -0.101 1.00 0.00 C ATOM 830 CD2 LEU A 53 -2.240 -6.601 -0.819 1.00 0.00 C ATOM 0 H LEU A 53 -2.660 -7.622 3.326 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.853 -5.998 1.451 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.077 -8.901 1.568 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.952 -8.317 0.167 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.408 -6.990 1.106 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.200 -8.367 -0.541 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.907 -9.358 0.757 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.685 -9.301 -0.842 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.294 -6.273 -1.249 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.822 -7.124 -1.578 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.799 -5.734 -0.468 1.00 0.00 H new ATOM 842 N GLN A 54 -5.952 -8.132 2.768 1.00 0.00 N ATOM 843 CA GLN A 54 -7.362 -8.490 2.867 1.00 0.00 C ATOM 844 C GLN A 54 -8.108 -7.519 3.777 1.00 0.00 C ATOM 845 O GLN A 54 -9.332 -7.410 3.713 1.00 0.00 O ATOM 846 CB GLN A 54 -7.512 -9.918 3.393 1.00 0.00 C ATOM 847 CG GLN A 54 -8.911 -10.237 3.897 1.00 0.00 C ATOM 848 CD GLN A 54 -9.265 -11.703 3.747 1.00 0.00 C ATOM 849 OE1 GLN A 54 -9.523 -12.182 2.642 1.00 0.00 O ATOM 850 NE2 GLN A 54 -9.279 -12.426 4.861 1.00 0.00 N ATOM 0 H GLN A 54 -5.353 -8.582 3.460 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.796 -8.431 1.869 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -7.253 -10.618 2.599 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -6.799 -10.075 4.202 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -8.988 -9.954 4.947 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -9.636 -9.634 3.350 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -9.059 -11.989 5.756 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -9.510 -13.419 4.822 1.00 0.00 H new ATOM 859 N GLN A 55 -7.361 -6.817 4.623 1.00 0.00 N ATOM 860 CA GLN A 55 -7.953 -5.856 5.547 1.00 0.00 C ATOM 861 C GLN A 55 -8.146 -4.502 4.874 1.00 0.00 C ATOM 862 O GLN A 55 -9.034 -3.734 5.244 1.00 0.00 O ATOM 863 CB GLN A 55 -7.072 -5.701 6.788 1.00 0.00 C ATOM 864 CG GLN A 55 -7.135 -6.891 7.731 1.00 0.00 C ATOM 865 CD GLN A 55 -8.258 -6.774 8.744 1.00 0.00 C ATOM 866 OE1 GLN A 55 -9.184 -5.982 8.571 1.00 0.00 O ATOM 867 NE2 GLN A 55 -8.181 -7.565 9.808 1.00 0.00 N ATOM 0 H GLN A 55 -6.346 -6.895 4.688 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.930 -6.234 5.848 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -6.039 -5.551 6.474 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -7.374 -4.804 7.328 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -7.268 -7.804 7.150 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -6.185 -6.984 8.257 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -7.395 -8.207 9.911 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -8.908 -7.531 10.523 1.00 0.00 H new ATOM 876 N VAL A 56 -7.308 -4.214 3.882 1.00 0.00 N ATOM 877 CA VAL A 56 -7.387 -2.952 3.157 1.00 0.00 C ATOM 878 C VAL A 56 -7.689 -3.185 1.681 1.00 0.00 C ATOM 879 O VAL A 56 -8.254 -2.322 1.008 1.00 0.00 O ATOM 880 CB VAL A 56 -6.078 -2.150 3.281 1.00 0.00 C ATOM 881 CG1 VAL A 56 -5.773 -1.849 4.740 1.00 0.00 C ATOM 882 CG2 VAL A 56 -4.928 -2.904 2.632 1.00 0.00 C ATOM 0 H VAL A 56 -6.567 -4.838 3.563 1.00 0.00 H new ATOM 0 HA VAL A 56 -8.199 -2.379 3.606 1.00 0.00 H new ATOM 0 HB VAL A 56 -6.202 -1.202 2.757 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -4.845 -1.282 4.808 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -6.587 -1.265 5.169 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -5.668 -2.784 5.290 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.011 -2.323 2.729 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.801 -3.868 3.125 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -5.147 -3.063 1.576 1.00 0.00 H new ATOM 892 N ALA A 57 -7.310 -4.357 1.182 1.00 0.00 N ATOM 893 CA ALA A 57 -7.542 -4.705 -0.214 1.00 0.00 C ATOM 894 C ALA A 57 -8.319 -6.012 -0.332 1.00 0.00 C ATOM 895 O ALA A 57 -8.620 -6.659 0.670 1.00 0.00 O ATOM 896 CB ALA A 57 -6.220 -4.805 -0.960 1.00 0.00 C ATOM 0 H ALA A 57 -6.841 -5.082 1.725 1.00 0.00 H new ATOM 0 HA ALA A 57 -8.142 -3.914 -0.665 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.409 -5.066 -2.001 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -5.703 -3.847 -0.914 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.600 -5.575 -0.500 1.00 0.00 H new ATOM 902 N ASN A 58 -8.641 -6.395 -1.563 1.00 0.00 N ATOM 903 CA ASN A 58 -9.384 -7.625 -1.812 1.00 0.00 C ATOM 904 C ASN A 58 -8.691 -8.474 -2.873 1.00 0.00 C ATOM 905 O ASN A 58 -8.293 -7.970 -3.924 1.00 0.00 O ATOM 906 CB ASN A 58 -10.813 -7.302 -2.253 1.00 0.00 C ATOM 907 CG ASN A 58 -11.632 -6.670 -1.145 1.00 0.00 C ATOM 908 OD1 ASN A 58 -11.787 -7.246 -0.068 1.00 0.00 O ATOM 909 ND2 ASN A 58 -12.160 -5.480 -1.404 1.00 0.00 N ATOM 0 H ASN A 58 -8.399 -5.871 -2.404 1.00 0.00 H new ATOM 0 HA ASN A 58 -9.418 -8.194 -0.883 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -10.782 -6.627 -3.108 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -11.303 -8.217 -2.586 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -12.720 -5.006 -0.696 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -12.005 -5.040 -2.311 1.00 0.00 H new ATOM 916 N LEU A 59 -8.551 -9.764 -2.592 1.00 0.00 N ATOM 917 CA LEU A 59 -7.907 -10.685 -3.523 1.00 0.00 C ATOM 918 C LEU A 59 -8.870 -11.103 -4.630 1.00 0.00 C ATOM 919 O LEU A 59 -10.026 -11.432 -4.368 1.00 0.00 O ATOM 920 CB LEU A 59 -7.400 -11.922 -2.779 1.00 0.00 C ATOM 921 CG LEU A 59 -6.219 -12.652 -3.419 1.00 0.00 C ATOM 922 CD1 LEU A 59 -5.887 -13.915 -2.639 1.00 0.00 C ATOM 923 CD2 LEU A 59 -6.521 -12.984 -4.873 1.00 0.00 C ATOM 0 H LEU A 59 -8.875 -10.197 -1.727 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.061 -10.170 -3.978 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.113 -11.623 -1.771 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -8.226 -12.626 -2.680 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.351 -11.993 -3.391 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.044 -14.422 -3.109 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.627 -13.652 -1.614 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.752 -14.578 -2.635 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.669 -13.503 -5.312 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.402 -13.624 -4.925 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.708 -12.063 -5.425 1.00 0.00 H new ATOM 935 N ASN A 60 -8.384 -11.088 -5.867 1.00 0.00 N ATOM 936 CA ASN A 60 -9.201 -11.467 -7.014 1.00 0.00 C ATOM 937 C ASN A 60 -8.736 -12.797 -7.598 1.00 0.00 C ATOM 938 O ASN A 60 -7.727 -12.860 -8.300 1.00 0.00 O ATOM 939 CB ASN A 60 -9.146 -10.379 -8.088 1.00 0.00 C ATOM 940 CG ASN A 60 -10.417 -10.315 -8.912 1.00 0.00 C ATOM 941 OD1 ASN A 60 -11.033 -11.340 -9.204 1.00 0.00 O ATOM 942 ND2 ASN A 60 -10.815 -9.106 -9.292 1.00 0.00 N ATOM 0 H ASN A 60 -7.429 -10.818 -6.101 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.230 -11.580 -6.673 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -8.975 -9.413 -7.614 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.298 -10.565 -8.747 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -11.663 -9.000 -9.849 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -10.273 -8.284 -9.027 1.00 0.00 H new ATOM 949 N SER A 61 -9.479 -13.859 -7.303 1.00 0.00 N ATOM 950 CA SER A 61 -9.141 -15.189 -7.795 1.00 0.00 C ATOM 951 C SER A 61 -8.799 -15.147 -9.282 1.00 0.00 C ATOM 952 O SER A 61 -8.088 -16.013 -9.792 1.00 0.00 O ATOM 953 CB SER A 61 -10.302 -16.156 -7.554 1.00 0.00 C ATOM 954 OG SER A 61 -9.867 -17.503 -7.621 1.00 0.00 O ATOM 0 H SER A 61 -10.319 -13.824 -6.726 1.00 0.00 H new ATOM 0 HA SER A 61 -8.266 -15.540 -7.248 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.744 -15.962 -6.577 1.00 0.00 H new ATOM 0 HB3 SER A 61 -11.082 -15.985 -8.296 1.00 0.00 H new ATOM 0 HG SER A 61 -10.627 -18.101 -7.462 1.00 0.00 H new ATOM 960 N LYS A 62 -9.313 -14.135 -9.972 1.00 0.00 N ATOM 961 CA LYS A 62 -9.063 -13.977 -11.400 1.00 0.00 C ATOM 962 C LYS A 62 -7.576 -14.117 -11.711 1.00 0.00 C ATOM 963 O LYS A 62 -7.151 -15.095 -12.326 1.00 0.00 O ATOM 964 CB LYS A 62 -9.568 -12.614 -11.879 1.00 0.00 C ATOM 965 CG LYS A 62 -9.998 -12.603 -13.336 1.00 0.00 C ATOM 966 CD LYS A 62 -11.319 -13.328 -13.533 1.00 0.00 C ATOM 967 CE LYS A 62 -12.503 -12.394 -13.331 1.00 0.00 C ATOM 968 NZ LYS A 62 -13.759 -12.963 -13.893 1.00 0.00 N ATOM 0 H LYS A 62 -9.906 -13.411 -9.565 1.00 0.00 H new ATOM 0 HA LYS A 62 -9.602 -14.764 -11.927 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.410 -12.309 -11.258 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -8.781 -11.873 -11.735 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -10.092 -11.573 -13.681 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.228 -13.075 -13.947 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -11.356 -13.753 -14.536 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -11.387 -14.160 -12.832 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -12.636 -12.201 -12.267 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -12.294 -11.435 -13.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -14.542 -12.297 -13.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -13.641 -13.124 -14.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -13.972 -13.866 -13.423 1.00 0.00 H new ATOM 982 N ASP A 63 -6.791 -13.135 -11.281 1.00 0.00 N ATOM 983 CA ASP A 63 -5.351 -13.151 -11.511 1.00 0.00 C ATOM 984 C ASP A 63 -4.589 -13.011 -10.197 1.00 0.00 C ATOM 985 O ASP A 63 -3.451 -12.540 -10.175 1.00 0.00 O ATOM 986 CB ASP A 63 -4.954 -12.026 -12.468 1.00 0.00 C ATOM 987 CG ASP A 63 -5.015 -12.454 -13.921 1.00 0.00 C ATOM 988 OD1 ASP A 63 -6.121 -12.782 -14.397 1.00 0.00 O ATOM 989 OD2 ASP A 63 -3.955 -12.461 -14.583 1.00 0.00 O ATOM 0 H ASP A 63 -7.128 -12.318 -10.771 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.090 -14.109 -11.961 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -5.615 -11.173 -12.315 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.943 -11.692 -12.233 1.00 0.00 H new ATOM 994 N LEU A 64 -5.224 -13.420 -9.104 1.00 0.00 N ATOM 995 CA LEU A 64 -4.606 -13.339 -7.785 1.00 0.00 C ATOM 996 C LEU A 64 -4.076 -11.934 -7.517 1.00 0.00 C ATOM 997 O LEU A 64 -3.051 -11.762 -6.858 1.00 0.00 O ATOM 998 CB LEU A 64 -3.469 -14.356 -7.670 1.00 0.00 C ATOM 999 CG LEU A 64 -3.886 -15.826 -7.618 1.00 0.00 C ATOM 1000 CD1 LEU A 64 -4.578 -16.230 -8.911 1.00 0.00 C ATOM 1001 CD2 LEU A 64 -2.679 -16.715 -7.357 1.00 0.00 C ATOM 0 H LEU A 64 -6.166 -13.811 -9.105 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.367 -13.568 -7.039 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.799 -14.219 -8.519 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.896 -14.130 -6.771 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.591 -15.955 -6.796 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.868 -17.279 -8.856 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.466 -15.615 -9.056 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.896 -16.085 -9.749 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.995 -17.758 -7.323 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.950 -16.583 -8.156 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.226 -16.443 -6.404 1.00 0.00 H new ATOM 1013 N SER A 65 -4.783 -10.933 -8.032 1.00 0.00 N ATOM 1014 CA SER A 65 -4.383 -9.542 -7.849 1.00 0.00 C ATOM 1015 C SER A 65 -5.193 -8.886 -6.736 1.00 0.00 C ATOM 1016 O SER A 65 -6.422 -8.960 -6.720 1.00 0.00 O ATOM 1017 CB SER A 65 -4.562 -8.763 -9.153 1.00 0.00 C ATOM 1018 OG SER A 65 -5.932 -8.665 -9.505 1.00 0.00 O ATOM 0 H SER A 65 -5.635 -11.059 -8.579 1.00 0.00 H new ATOM 0 HA SER A 65 -3.331 -9.526 -7.566 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.139 -7.764 -9.045 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.012 -9.257 -9.954 1.00 0.00 H new ATOM 0 HG SER A 65 -6.484 -8.751 -8.700 1.00 0.00 H new ATOM 1024 N TYR A 66 -4.495 -8.244 -5.805 1.00 0.00 N ATOM 1025 CA TYR A 66 -5.148 -7.576 -4.686 1.00 0.00 C ATOM 1026 C TYR A 66 -5.537 -6.148 -5.055 1.00 0.00 C ATOM 1027 O TYR A 66 -4.682 -5.319 -5.369 1.00 0.00 O ATOM 1028 CB TYR A 66 -4.228 -7.565 -3.464 1.00 0.00 C ATOM 1029 CG TYR A 66 -4.056 -8.924 -2.823 1.00 0.00 C ATOM 1030 CD1 TYR A 66 -4.949 -9.377 -1.860 1.00 0.00 C ATOM 1031 CD2 TYR A 66 -3.003 -9.755 -3.183 1.00 0.00 C ATOM 1032 CE1 TYR A 66 -4.796 -10.617 -1.271 1.00 0.00 C ATOM 1033 CE2 TYR A 66 -2.842 -10.998 -2.600 1.00 0.00 C ATOM 1034 CZ TYR A 66 -3.741 -11.424 -1.645 1.00 0.00 C ATOM 1035 OH TYR A 66 -3.586 -12.661 -1.062 1.00 0.00 O ATOM 0 H TYR A 66 -3.478 -8.172 -5.804 1.00 0.00 H new ATOM 0 HA TYR A 66 -6.055 -8.130 -4.445 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.250 -7.186 -3.760 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -4.629 -6.872 -2.724 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -5.777 -8.749 -1.567 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -2.298 -9.424 -3.931 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -5.498 -10.953 -0.522 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -2.017 -11.632 -2.891 1.00 0.00 H new ATOM 0 HH TYR A 66 -2.796 -13.103 -1.437 1.00 0.00 H new ATOM 1045 N THR A 67 -6.836 -5.866 -5.016 1.00 0.00 N ATOM 1046 CA THR A 67 -7.341 -4.539 -5.346 1.00 0.00 C ATOM 1047 C THR A 67 -7.671 -3.747 -4.087 1.00 0.00 C ATOM 1048 O THR A 67 -8.440 -4.201 -3.238 1.00 0.00 O ATOM 1049 CB THR A 67 -8.599 -4.622 -6.232 1.00 0.00 C ATOM 1050 OG1 THR A 67 -9.692 -5.162 -5.481 1.00 0.00 O ATOM 1051 CG2 THR A 67 -8.342 -5.485 -7.457 1.00 0.00 C ATOM 0 H THR A 67 -7.558 -6.540 -4.759 1.00 0.00 H new ATOM 0 HA THR A 67 -6.551 -4.028 -5.896 1.00 0.00 H new ATOM 0 HB THR A 67 -8.850 -3.615 -6.564 1.00 0.00 H new ATOM 0 HG1 THR A 67 -9.496 -5.095 -4.523 1.00 0.00 H new ATOM 0 HG21 THR A 67 -9.244 -5.529 -8.067 1.00 0.00 H new ATOM 0 HG22 THR A 67 -7.529 -5.054 -8.042 1.00 0.00 H new ATOM 0 HG23 THR A 67 -8.068 -6.492 -7.142 1.00 0.00 H new ATOM 1059 N LEU A 68 -7.085 -2.560 -3.970 1.00 0.00 N ATOM 1060 CA LEU A 68 -7.318 -1.703 -2.813 1.00 0.00 C ATOM 1061 C LEU A 68 -8.808 -1.435 -2.624 1.00 0.00 C ATOM 1062 O LEU A 68 -9.500 -1.026 -3.557 1.00 0.00 O ATOM 1063 CB LEU A 68 -6.567 -0.380 -2.974 1.00 0.00 C ATOM 1064 CG LEU A 68 -6.109 0.294 -1.680 1.00 0.00 C ATOM 1065 CD1 LEU A 68 -6.033 1.802 -1.862 1.00 0.00 C ATOM 1066 CD2 LEU A 68 -7.045 -0.060 -0.534 1.00 0.00 C ATOM 0 H LEU A 68 -6.445 -2.170 -4.662 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.946 -2.220 -1.929 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.691 -0.556 -3.598 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.209 0.315 -3.515 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.112 -0.073 -1.435 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.705 2.265 -0.931 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.322 2.038 -2.654 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.017 2.186 -2.132 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.704 0.428 0.379 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.054 0.278 -0.771 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.049 -1.140 -0.388 1.00 0.00 H new ATOM 1078 N LYS A 69 -9.296 -1.667 -1.410 1.00 0.00 N ATOM 1079 CA LYS A 69 -10.703 -1.448 -1.096 1.00 0.00 C ATOM 1080 C LYS A 69 -11.143 -0.049 -1.515 1.00 0.00 C ATOM 1081 O LYS A 69 -10.357 0.719 -2.071 1.00 0.00 O ATOM 1082 CB LYS A 69 -10.949 -1.644 0.402 1.00 0.00 C ATOM 1083 CG LYS A 69 -11.046 -3.102 0.816 1.00 0.00 C ATOM 1084 CD LYS A 69 -10.926 -3.263 2.322 1.00 0.00 C ATOM 1085 CE LYS A 69 -10.616 -4.701 2.707 1.00 0.00 C ATOM 1086 NZ LYS A 69 -11.134 -5.038 4.062 1.00 0.00 N ATOM 0 H LYS A 69 -8.737 -2.007 -0.627 1.00 0.00 H new ATOM 0 HA LYS A 69 -11.291 -2.177 -1.653 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -10.141 -1.170 0.960 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -11.871 -1.134 0.680 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.997 -3.514 0.480 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.259 -3.674 0.324 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.140 -2.608 2.697 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -11.856 -2.951 2.797 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.055 -5.376 1.972 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.538 -4.859 2.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.947 -6.041 4.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.659 -4.446 4.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.159 -4.863 4.095 1.00 0.00 H new ATOM 1100 N ASP A 70 -12.402 0.276 -1.245 1.00 0.00 N ATOM 1101 CA ASP A 70 -12.946 1.584 -1.591 1.00 0.00 C ATOM 1102 C ASP A 70 -12.731 2.580 -0.456 1.00 0.00 C ATOM 1103 O ASP A 70 -11.952 3.525 -0.584 1.00 0.00 O ATOM 1104 CB ASP A 70 -14.437 1.472 -1.913 1.00 0.00 C ATOM 1105 CG ASP A 70 -15.144 0.459 -1.034 1.00 0.00 C ATOM 1106 OD1 ASP A 70 -14.959 -0.755 -1.262 1.00 0.00 O ATOM 1107 OD2 ASP A 70 -15.883 0.879 -0.119 1.00 0.00 O ATOM 0 H ASP A 70 -13.066 -0.349 -0.787 1.00 0.00 H new ATOM 0 HA ASP A 70 -12.419 1.947 -2.473 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -14.907 2.448 -1.789 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -14.560 1.190 -2.959 1.00 0.00 H new ATOM 1112 N TYR A 71 -13.428 2.363 0.654 1.00 0.00 N ATOM 1113 CA TYR A 71 -13.316 3.243 1.811 1.00 0.00 C ATOM 1114 C TYR A 71 -11.856 3.577 2.102 1.00 0.00 C ATOM 1115 O TYR A 71 -11.490 4.744 2.243 1.00 0.00 O ATOM 1116 CB TYR A 71 -13.957 2.592 3.038 1.00 0.00 C ATOM 1117 CG TYR A 71 -12.994 1.756 3.851 1.00 0.00 C ATOM 1118 CD1 TYR A 71 -12.765 0.422 3.537 1.00 0.00 C ATOM 1119 CD2 TYR A 71 -12.315 2.299 4.934 1.00 0.00 C ATOM 1120 CE1 TYR A 71 -11.887 -0.346 4.277 1.00 0.00 C ATOM 1121 CE2 TYR A 71 -11.435 1.540 5.680 1.00 0.00 C ATOM 1122 CZ TYR A 71 -11.224 0.218 5.347 1.00 0.00 C ATOM 1123 OH TYR A 71 -10.349 -0.543 6.088 1.00 0.00 O ATOM 0 H TYR A 71 -14.076 1.585 0.777 1.00 0.00 H new ATOM 0 HA TYR A 71 -13.843 4.169 1.583 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -14.376 3.371 3.675 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -14.787 1.964 2.714 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -13.283 -0.022 2.700 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -12.478 3.334 5.198 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -11.721 -1.382 4.019 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -10.915 1.979 6.519 1.00 0.00 H new ATOM 0 HH TYR A 71 -9.965 0.005 6.804 1.00 0.00 H new ATOM 1133 N VAL A 72 -11.026 2.543 2.191 1.00 0.00 N ATOM 1134 CA VAL A 72 -9.605 2.725 2.464 1.00 0.00 C ATOM 1135 C VAL A 72 -9.050 3.928 1.710 1.00 0.00 C ATOM 1136 O VAL A 72 -8.128 4.597 2.178 1.00 0.00 O ATOM 1137 CB VAL A 72 -8.795 1.473 2.079 1.00 0.00 C ATOM 1138 CG1 VAL A 72 -7.318 1.681 2.377 1.00 0.00 C ATOM 1139 CG2 VAL A 72 -9.328 0.249 2.808 1.00 0.00 C ATOM 0 H VAL A 72 -11.313 1.571 2.078 1.00 0.00 H new ATOM 0 HA VAL A 72 -9.508 2.896 3.536 1.00 0.00 H new ATOM 0 HB VAL A 72 -8.905 1.305 1.008 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -6.761 0.786 2.099 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.948 2.532 1.805 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -7.185 1.874 3.441 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -8.744 -0.627 2.524 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -9.250 0.404 3.884 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -10.372 0.091 2.539 1.00 0.00 H new ATOM 1149 N PHE A 73 -9.618 4.199 0.539 1.00 0.00 N ATOM 1150 CA PHE A 73 -9.180 5.322 -0.281 1.00 0.00 C ATOM 1151 C PHE A 73 -9.132 6.608 0.538 1.00 0.00 C ATOM 1152 O PHE A 73 -8.183 7.387 0.438 1.00 0.00 O ATOM 1153 CB PHE A 73 -10.115 5.502 -1.479 1.00 0.00 C ATOM 1154 CG PHE A 73 -9.957 4.439 -2.528 1.00 0.00 C ATOM 1155 CD1 PHE A 73 -8.698 4.070 -2.975 1.00 0.00 C ATOM 1156 CD2 PHE A 73 -11.066 3.809 -3.068 1.00 0.00 C ATOM 1157 CE1 PHE A 73 -8.548 3.092 -3.940 1.00 0.00 C ATOM 1158 CE2 PHE A 73 -10.923 2.830 -4.033 1.00 0.00 C ATOM 1159 CZ PHE A 73 -9.663 2.472 -4.471 1.00 0.00 C ATOM 0 H PHE A 73 -10.382 3.656 0.137 1.00 0.00 H new ATOM 0 HA PHE A 73 -8.175 5.105 -0.643 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -11.147 5.504 -1.127 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -9.931 6.477 -1.930 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -7.823 4.553 -2.564 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -12.054 4.086 -2.731 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -7.561 2.813 -4.278 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -11.796 2.345 -4.444 1.00 0.00 H new ATOM 0 HZ PHE A 73 -9.549 1.709 -5.227 1.00 0.00 H new ATOM 1169 N LYS A 74 -10.161 6.825 1.349 1.00 0.00 N ATOM 1170 CA LYS A 74 -10.239 8.015 2.188 1.00 0.00 C ATOM 1171 C LYS A 74 -9.088 8.052 3.188 1.00 0.00 C ATOM 1172 O LYS A 74 -8.665 9.123 3.622 1.00 0.00 O ATOM 1173 CB LYS A 74 -11.576 8.055 2.931 1.00 0.00 C ATOM 1174 CG LYS A 74 -11.628 7.136 4.139 1.00 0.00 C ATOM 1175 CD LYS A 74 -12.589 7.657 5.194 1.00 0.00 C ATOM 1176 CE LYS A 74 -12.044 8.901 5.879 1.00 0.00 C ATOM 1177 NZ LYS A 74 -12.872 9.296 7.052 1.00 0.00 N ATOM 0 H LYS A 74 -10.954 6.191 1.443 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.164 8.890 1.542 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.772 9.077 3.254 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.374 7.780 2.241 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -11.936 6.139 3.826 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.631 7.041 4.569 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -13.549 7.886 4.732 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.770 6.881 5.938 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -11.019 8.718 6.203 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -12.010 9.724 5.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.468 10.148 7.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -13.844 9.495 6.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -12.884 8.521 7.746 1.00 0.00 H new ATOM 1191 N GLU A 75 -8.585 6.875 3.548 1.00 0.00 N ATOM 1192 CA GLU A 75 -7.483 6.774 4.497 1.00 0.00 C ATOM 1193 C GLU A 75 -6.178 7.252 3.868 1.00 0.00 C ATOM 1194 O GLU A 75 -5.334 7.850 4.538 1.00 0.00 O ATOM 1195 CB GLU A 75 -7.329 5.331 4.983 1.00 0.00 C ATOM 1196 CG GLU A 75 -8.559 4.794 5.695 1.00 0.00 C ATOM 1197 CD GLU A 75 -8.230 3.676 6.664 1.00 0.00 C ATOM 1198 OE1 GLU A 75 -7.540 2.719 6.254 1.00 0.00 O ATOM 1199 OE2 GLU A 75 -8.663 3.756 7.833 1.00 0.00 O ATOM 0 H GLU A 75 -8.923 5.979 3.197 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.712 7.414 5.349 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.105 4.691 4.129 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.475 5.273 5.658 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.045 5.606 6.235 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.273 4.431 4.956 1.00 0.00 H new ATOM 1206 N LEU A 76 -6.018 6.985 2.577 1.00 0.00 N ATOM 1207 CA LEU A 76 -4.815 7.387 1.855 1.00 0.00 C ATOM 1208 C LEU A 76 -4.454 8.836 2.165 1.00 0.00 C ATOM 1209 O LEU A 76 -5.234 9.562 2.780 1.00 0.00 O ATOM 1210 CB LEU A 76 -5.017 7.210 0.349 1.00 0.00 C ATOM 1211 CG LEU A 76 -5.260 5.780 -0.132 1.00 0.00 C ATOM 1212 CD1 LEU A 76 -5.680 5.772 -1.594 1.00 0.00 C ATOM 1213 CD2 LEU A 76 -4.014 4.930 0.071 1.00 0.00 C ATOM 0 H LEU A 76 -6.706 6.492 2.008 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.994 6.749 2.182 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.863 7.824 0.042 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.138 7.600 -0.164 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.069 5.351 0.459 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.848 4.745 -1.919 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.600 6.345 -1.712 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.893 6.220 -2.201 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.205 3.915 -0.277 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.186 5.357 -0.494 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.757 4.908 1.130 1.00 0.00 H new ATOM 1225 N GLN A 77 -3.267 9.250 1.732 1.00 0.00 N ATOM 1226 CA GLN A 77 -2.803 10.613 1.962 1.00 0.00 C ATOM 1227 C GLN A 77 -2.155 11.187 0.706 1.00 0.00 C ATOM 1228 O GLN A 77 -1.108 10.712 0.265 1.00 0.00 O ATOM 1229 CB GLN A 77 -1.810 10.647 3.124 1.00 0.00 C ATOM 1230 CG GLN A 77 -2.312 9.942 4.374 1.00 0.00 C ATOM 1231 CD GLN A 77 -1.726 10.523 5.646 1.00 0.00 C ATOM 1232 OE1 GLN A 77 -2.379 11.296 6.348 1.00 0.00 O ATOM 1233 NE2 GLN A 77 -0.488 10.152 5.951 1.00 0.00 N ATOM 0 H GLN A 77 -2.610 8.661 1.220 1.00 0.00 H new ATOM 0 HA GLN A 77 -3.668 11.226 2.215 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -0.876 10.184 2.806 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -1.585 11.685 3.368 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -3.399 10.012 4.414 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -2.063 8.883 4.314 1.00 0.00 H new ATOM 0 HE21 GLN A 77 0.017 9.509 5.341 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -0.042 10.510 6.796 1.00 0.00 H new ATOM 1242 N ARG A 78 -2.783 12.209 0.136 1.00 0.00 N ATOM 1243 CA ARG A 78 -2.268 12.846 -1.070 1.00 0.00 C ATOM 1244 C ARG A 78 -0.848 13.359 -0.849 1.00 0.00 C ATOM 1245 O ARG A 78 -0.087 13.538 -1.801 1.00 0.00 O ATOM 1246 CB ARG A 78 -3.179 14.000 -1.492 1.00 0.00 C ATOM 1247 CG ARG A 78 -4.454 13.548 -2.185 1.00 0.00 C ATOM 1248 CD ARG A 78 -5.014 14.636 -3.087 1.00 0.00 C ATOM 1249 NE ARG A 78 -6.403 14.378 -3.459 1.00 0.00 N ATOM 1250 CZ ARG A 78 -7.126 15.199 -4.212 1.00 0.00 C ATOM 1251 NH1 ARG A 78 -6.596 16.323 -4.672 1.00 0.00 N ATOM 1252 NH2 ARG A 78 -8.384 14.894 -4.508 1.00 0.00 N ATOM 0 H ARG A 78 -3.650 12.614 0.490 1.00 0.00 H new ATOM 0 HA ARG A 78 -2.247 12.100 -1.864 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.442 14.585 -0.611 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.627 14.661 -2.160 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.251 12.654 -2.774 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.199 13.275 -1.437 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.948 15.598 -2.579 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.405 14.709 -3.988 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.841 13.521 -3.122 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -5.630 16.560 -4.448 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.154 16.951 -5.250 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -8.795 14.029 -4.157 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -8.939 15.525 -5.086 1.00 0.00 H new ATOM 1266 N ASP A 79 -0.499 13.594 0.410 1.00 0.00 N ATOM 1267 CA ASP A 79 0.830 14.086 0.756 1.00 0.00 C ATOM 1268 C ASP A 79 1.850 12.952 0.745 1.00 0.00 C ATOM 1269 O ASP A 79 3.057 13.190 0.724 1.00 0.00 O ATOM 1270 CB ASP A 79 0.807 14.755 2.132 1.00 0.00 C ATOM 1271 CG ASP A 79 0.549 13.766 3.252 1.00 0.00 C ATOM 1272 OD1 ASP A 79 1.326 12.798 3.379 1.00 0.00 O ATOM 1273 OD2 ASP A 79 -0.432 13.960 4.000 1.00 0.00 O ATOM 0 H ASP A 79 -1.117 13.452 1.209 1.00 0.00 H new ATOM 0 HA ASP A 79 1.124 14.822 0.007 1.00 0.00 H new ATOM 0 HB2 ASP A 79 1.760 15.256 2.305 1.00 0.00 H new ATOM 0 HB3 ASP A 79 0.035 15.525 2.146 1.00 0.00 H new ATOM 1278 N TRP A 80 1.355 11.719 0.761 1.00 0.00 N ATOM 1279 CA TRP A 80 2.224 10.548 0.754 1.00 0.00 C ATOM 1280 C TRP A 80 3.393 10.743 -0.205 1.00 0.00 C ATOM 1281 O TRP A 80 3.218 11.092 -1.373 1.00 0.00 O ATOM 1282 CB TRP A 80 1.430 9.301 0.362 1.00 0.00 C ATOM 1283 CG TRP A 80 2.211 8.030 0.505 1.00 0.00 C ATOM 1284 CD1 TRP A 80 2.795 7.309 -0.498 1.00 0.00 C ATOM 1285 CD2 TRP A 80 2.491 7.328 1.721 1.00 0.00 C ATOM 1286 NE1 TRP A 80 3.421 6.202 0.022 1.00 0.00 N ATOM 1287 CE2 TRP A 80 3.250 6.191 1.381 1.00 0.00 C ATOM 1288 CE3 TRP A 80 2.176 7.551 3.064 1.00 0.00 C ATOM 1289 CZ2 TRP A 80 3.696 5.282 2.336 1.00 0.00 C ATOM 1290 CZ3 TRP A 80 2.619 6.647 4.011 1.00 0.00 C ATOM 1291 CH2 TRP A 80 3.373 5.524 3.644 1.00 0.00 C ATOM 0 H TRP A 80 0.358 11.505 0.779 1.00 0.00 H new ATOM 0 HA TRP A 80 2.622 10.416 1.760 1.00 0.00 H new ATOM 0 HB2 TRP A 80 0.534 9.240 0.980 1.00 0.00 H new ATOM 0 HB3 TRP A 80 1.098 9.401 -0.671 1.00 0.00 H new ATOM 0 HD1 TRP A 80 2.768 7.571 -1.545 1.00 0.00 H new ATOM 0 HE1 TRP A 80 3.931 5.502 -0.517 1.00 0.00 H new ATOM 0 HE3 TRP A 80 1.597 8.414 3.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 4.277 4.416 2.055 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 2.380 6.809 5.052 1.00 0.00 H new ATOM 0 HH2 TRP A 80 3.705 4.837 4.408 1.00 0.00 H new ATOM 1302 N PRO A 81 4.616 10.513 0.296 1.00 0.00 N ATOM 1303 CA PRO A 81 5.838 10.657 -0.501 1.00 0.00 C ATOM 1304 C PRO A 81 5.965 9.575 -1.568 1.00 0.00 C ATOM 1305 O PRO A 81 6.446 9.831 -2.671 1.00 0.00 O ATOM 1306 CB PRO A 81 6.956 10.519 0.536 1.00 0.00 C ATOM 1307 CG PRO A 81 6.354 9.715 1.637 1.00 0.00 C ATOM 1308 CD PRO A 81 4.900 10.094 1.679 1.00 0.00 C ATOM 0 HA PRO A 81 5.859 11.600 -1.048 1.00 0.00 H new ATOM 0 HB2 PRO A 81 7.829 10.021 0.113 1.00 0.00 H new ATOM 0 HB3 PRO A 81 7.287 11.494 0.893 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.474 8.648 1.451 1.00 0.00 H new ATOM 0 HG3 PRO A 81 6.841 9.930 2.588 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.274 9.254 1.981 1.00 0.00 H new ATOM 0 HD3 PRO A 81 4.715 10.900 2.389 1.00 0.00 H new ATOM 1316 N GLY A 82 5.529 8.364 -1.232 1.00 0.00 N ATOM 1317 CA GLY A 82 5.603 7.262 -2.173 1.00 0.00 C ATOM 1318 C GLY A 82 5.143 7.654 -3.563 1.00 0.00 C ATOM 1319 O GLY A 82 5.531 7.032 -4.552 1.00 0.00 O ATOM 0 H GLY A 82 5.126 8.127 -0.325 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.630 6.899 -2.222 1.00 0.00 H new ATOM 0 HA3 GLY A 82 4.990 6.437 -1.810 1.00 0.00 H new ATOM 1323 N TYR A 83 4.312 8.688 -3.639 1.00 0.00 N ATOM 1324 CA TYR A 83 3.795 9.160 -4.918 1.00 0.00 C ATOM 1325 C TYR A 83 4.763 10.144 -5.568 1.00 0.00 C ATOM 1326 O TYR A 83 5.087 11.184 -4.994 1.00 0.00 O ATOM 1327 CB TYR A 83 2.429 9.822 -4.727 1.00 0.00 C ATOM 1328 CG TYR A 83 1.396 8.911 -4.105 1.00 0.00 C ATOM 1329 CD1 TYR A 83 1.224 7.609 -4.561 1.00 0.00 C ATOM 1330 CD2 TYR A 83 0.590 9.350 -3.062 1.00 0.00 C ATOM 1331 CE1 TYR A 83 0.281 6.773 -3.997 1.00 0.00 C ATOM 1332 CE2 TYR A 83 -0.354 8.520 -2.490 1.00 0.00 C ATOM 1333 CZ TYR A 83 -0.505 7.233 -2.961 1.00 0.00 C ATOM 1334 OH TYR A 83 -1.446 6.403 -2.395 1.00 0.00 O ATOM 0 H TYR A 83 3.982 9.215 -2.830 1.00 0.00 H new ATOM 0 HA TYR A 83 3.685 8.298 -5.576 1.00 0.00 H new ATOM 0 HB2 TYR A 83 2.547 10.705 -4.099 1.00 0.00 H new ATOM 0 HB3 TYR A 83 2.063 10.165 -5.694 1.00 0.00 H new ATOM 0 HD1 TYR A 83 1.839 7.245 -5.371 1.00 0.00 H new ATOM 0 HD2 TYR A 83 0.704 10.358 -2.692 1.00 0.00 H new ATOM 0 HE1 TYR A 83 0.159 5.765 -4.365 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -0.970 8.877 -1.678 1.00 0.00 H new ATOM 0 HH TYR A 83 -1.320 5.490 -2.728 1.00 0.00 H new ATOM 1344 N SER A 84 5.221 9.807 -6.770 1.00 0.00 N ATOM 1345 CA SER A 84 6.155 10.658 -7.498 1.00 0.00 C ATOM 1346 C SER A 84 5.411 11.744 -8.270 1.00 0.00 C ATOM 1347 O SER A 84 4.182 11.786 -8.273 1.00 0.00 O ATOM 1348 CB SER A 84 6.998 9.820 -8.460 1.00 0.00 C ATOM 1349 OG SER A 84 7.898 8.984 -7.753 1.00 0.00 O ATOM 0 H SER A 84 4.960 8.951 -7.260 1.00 0.00 H new ATOM 0 HA SER A 84 6.813 11.137 -6.773 1.00 0.00 H new ATOM 0 HB2 SER A 84 6.345 9.211 -9.085 1.00 0.00 H new ATOM 0 HB3 SER A 84 7.555 10.477 -9.128 1.00 0.00 H new ATOM 0 HG SER A 84 8.424 8.457 -8.390 1.00 0.00 H new ATOM 1355 N GLU A 85 6.168 12.621 -8.922 1.00 0.00 N ATOM 1356 CA GLU A 85 5.581 13.708 -9.697 1.00 0.00 C ATOM 1357 C GLU A 85 4.407 13.208 -10.534 1.00 0.00 C ATOM 1358 O GLU A 85 3.515 13.977 -10.892 1.00 0.00 O ATOM 1359 CB GLU A 85 6.636 14.344 -10.606 1.00 0.00 C ATOM 1360 CG GLU A 85 6.066 15.357 -11.583 1.00 0.00 C ATOM 1361 CD GLU A 85 7.138 16.215 -12.226 1.00 0.00 C ATOM 1362 OE1 GLU A 85 8.034 15.648 -12.886 1.00 0.00 O ATOM 1363 OE2 GLU A 85 7.082 17.453 -12.068 1.00 0.00 O ATOM 0 H GLU A 85 7.188 12.600 -8.929 1.00 0.00 H new ATOM 0 HA GLU A 85 5.213 14.460 -8.999 1.00 0.00 H new ATOM 0 HB2 GLU A 85 7.389 14.832 -9.988 1.00 0.00 H new ATOM 0 HB3 GLU A 85 7.143 13.558 -11.165 1.00 0.00 H new ATOM 0 HG2 GLU A 85 5.510 14.833 -12.361 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.356 15.999 -11.062 1.00 0.00 H new ATOM 1370 N ILE A 86 4.416 11.915 -10.841 1.00 0.00 N ATOM 1371 CA ILE A 86 3.353 11.312 -11.635 1.00 0.00 C ATOM 1372 C ILE A 86 2.306 10.655 -10.742 1.00 0.00 C ATOM 1373 O ILE A 86 1.139 11.046 -10.745 1.00 0.00 O ATOM 1374 CB ILE A 86 3.908 10.262 -12.615 1.00 0.00 C ATOM 1375 CG1 ILE A 86 5.213 10.757 -13.241 1.00 0.00 C ATOM 1376 CG2 ILE A 86 2.882 9.949 -13.694 1.00 0.00 C ATOM 1377 CD1 ILE A 86 5.111 12.145 -13.834 1.00 0.00 C ATOM 0 H ILE A 86 5.147 11.265 -10.552 1.00 0.00 H new ATOM 0 HA ILE A 86 2.888 12.117 -12.204 1.00 0.00 H new ATOM 0 HB ILE A 86 4.116 9.346 -12.063 1.00 0.00 H new ATOM 0 HG12 ILE A 86 5.995 10.752 -12.482 1.00 0.00 H new ATOM 0 HG13 ILE A 86 5.520 10.060 -14.020 1.00 0.00 H new ATOM 0 HG21 ILE A 86 3.289 9.205 -14.379 1.00 0.00 H new ATOM 0 HG22 ILE A 86 1.975 9.559 -13.232 1.00 0.00 H new ATOM 0 HG23 ILE A 86 2.645 10.859 -14.246 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.073 12.430 -14.260 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.352 12.152 -14.616 1.00 0.00 H new ATOM 0 HD13 ILE A 86 4.835 12.854 -13.054 1.00 0.00 H new ATOM 1389 N ASP A 87 2.732 9.655 -9.978 1.00 0.00 N ATOM 1390 CA ASP A 87 1.832 8.944 -9.077 1.00 0.00 C ATOM 1391 C ASP A 87 0.784 9.890 -8.499 1.00 0.00 C ATOM 1392 O ASP A 87 -0.416 9.699 -8.699 1.00 0.00 O ATOM 1393 CB ASP A 87 2.624 8.287 -7.946 1.00 0.00 C ATOM 1394 CG ASP A 87 3.789 7.463 -8.457 1.00 0.00 C ATOM 1395 OD1 ASP A 87 3.767 7.077 -9.644 1.00 0.00 O ATOM 1396 OD2 ASP A 87 4.723 7.203 -7.670 1.00 0.00 O ATOM 0 H ASP A 87 3.695 9.318 -9.965 1.00 0.00 H new ATOM 0 HA ASP A 87 1.320 8.170 -9.649 1.00 0.00 H new ATOM 0 HB2 ASP A 87 2.996 9.058 -7.272 1.00 0.00 H new ATOM 0 HB3 ASP A 87 1.959 7.649 -7.364 1.00 0.00 H new ATOM 1401 N ARG A 88 1.245 10.908 -7.780 1.00 0.00 N ATOM 1402 CA ARG A 88 0.347 11.881 -7.170 1.00 0.00 C ATOM 1403 C ARG A 88 -0.792 12.239 -8.120 1.00 0.00 C ATOM 1404 O ARG A 88 -1.965 12.051 -7.797 1.00 0.00 O ATOM 1405 CB ARG A 88 1.118 13.145 -6.782 1.00 0.00 C ATOM 1406 CG ARG A 88 2.261 12.887 -5.814 1.00 0.00 C ATOM 1407 CD ARG A 88 3.230 14.059 -5.772 1.00 0.00 C ATOM 1408 NE ARG A 88 2.613 15.259 -5.212 1.00 0.00 N ATOM 1409 CZ ARG A 88 3.217 16.441 -5.165 1.00 0.00 C ATOM 1410 NH1 ARG A 88 4.446 16.581 -5.642 1.00 0.00 N ATOM 1411 NH2 ARG A 88 2.591 17.486 -4.640 1.00 0.00 N ATOM 0 H ARG A 88 2.235 11.080 -7.606 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.079 11.433 -6.272 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.515 13.610 -7.684 1.00 0.00 H new ATOM 0 HB3 ARG A 88 0.427 13.859 -6.333 1.00 0.00 H new ATOM 0 HG2 ARG A 88 1.861 12.708 -4.816 1.00 0.00 H new ATOM 0 HG3 ARG A 88 2.794 11.983 -6.110 1.00 0.00 H new ATOM 0 HD2 ARG A 88 4.102 13.788 -5.176 1.00 0.00 H new ATOM 0 HD3 ARG A 88 3.586 14.271 -6.780 1.00 0.00 H new ATOM 0 HE ARG A 88 1.667 15.185 -4.837 1.00 0.00 H new ATOM 0 HH11 ARG A 88 4.930 15.780 -6.047 1.00 0.00 H new ATOM 0 HH12 ARG A 88 4.907 17.490 -5.604 1.00 0.00 H new ATOM 0 HH21 ARG A 88 1.645 17.382 -4.272 1.00 0.00 H new ATOM 0 HH22 ARG A 88 3.055 18.393 -4.604 1.00 0.00 H new ATOM 1425 N ARG A 89 -0.438 12.757 -9.292 1.00 0.00 N ATOM 1426 CA ARG A 89 -1.431 13.143 -10.287 1.00 0.00 C ATOM 1427 C ARG A 89 -2.205 11.926 -10.784 1.00 0.00 C ATOM 1428 O ARG A 89 -3.324 12.050 -11.281 1.00 0.00 O ATOM 1429 CB ARG A 89 -0.755 13.847 -11.466 1.00 0.00 C ATOM 1430 CG ARG A 89 0.006 12.904 -12.383 1.00 0.00 C ATOM 1431 CD ARG A 89 0.017 13.409 -13.817 1.00 0.00 C ATOM 1432 NE ARG A 89 -1.203 13.046 -14.534 1.00 0.00 N ATOM 1433 CZ ARG A 89 -1.281 12.967 -15.858 1.00 0.00 C ATOM 1434 NH1 ARG A 89 -0.216 13.224 -16.605 1.00 0.00 N ATOM 1435 NH2 ARG A 89 -2.426 12.630 -16.437 1.00 0.00 N ATOM 0 H ARG A 89 0.528 12.919 -9.575 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.133 13.830 -9.815 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.513 14.373 -12.047 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -0.067 14.601 -11.082 1.00 0.00 H new ATOM 0 HG2 ARG A 89 1.030 12.796 -12.026 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.450 11.914 -12.348 1.00 0.00 H new ATOM 0 HD2 ARG A 89 0.130 14.493 -13.819 1.00 0.00 H new ATOM 0 HD3 ARG A 89 0.881 12.998 -14.340 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.040 12.842 -13.989 1.00 0.00 H new ATOM 0 HH11 ARG A 89 0.666 13.483 -16.163 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -0.279 13.163 -17.621 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -3.247 12.431 -15.866 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -2.485 12.570 -17.453 1.00 0.00 H new ATOM 1449 N SER A 90 -1.601 10.750 -10.646 1.00 0.00 N ATOM 1450 CA SER A 90 -2.231 9.510 -11.084 1.00 0.00 C ATOM 1451 C SER A 90 -3.182 8.978 -10.016 1.00 0.00 C ATOM 1452 O SER A 90 -4.079 8.185 -10.307 1.00 0.00 O ATOM 1453 CB SER A 90 -1.168 8.459 -11.406 1.00 0.00 C ATOM 1454 OG SER A 90 -1.630 7.552 -12.392 1.00 0.00 O ATOM 0 H SER A 90 -0.676 10.630 -10.234 1.00 0.00 H new ATOM 0 HA SER A 90 -2.806 9.722 -11.985 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.260 8.951 -11.756 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.905 7.913 -10.500 1.00 0.00 H new ATOM 0 HG SER A 90 -0.932 6.891 -12.581 1.00 0.00 H new ATOM 1460 N LEU A 91 -2.979 9.418 -8.780 1.00 0.00 N ATOM 1461 CA LEU A 91 -3.818 8.986 -7.667 1.00 0.00 C ATOM 1462 C LEU A 91 -4.988 9.944 -7.463 1.00 0.00 C ATOM 1463 O LEU A 91 -6.131 9.516 -7.304 1.00 0.00 O ATOM 1464 CB LEU A 91 -2.990 8.895 -6.384 1.00 0.00 C ATOM 1465 CG LEU A 91 -3.741 9.166 -5.080 1.00 0.00 C ATOM 1466 CD1 LEU A 91 -3.098 8.412 -3.927 1.00 0.00 C ATOM 1467 CD2 LEU A 91 -3.780 10.659 -4.787 1.00 0.00 C ATOM 0 H LEU A 91 -2.241 10.073 -8.522 1.00 0.00 H new ATOM 0 HA LEU A 91 -4.217 8.000 -7.906 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.553 7.898 -6.328 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.164 9.602 -6.458 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.765 8.811 -5.193 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -3.646 8.617 -3.007 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -3.123 7.342 -4.133 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.063 8.736 -3.813 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -4.318 10.833 -3.855 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.762 11.038 -4.694 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.287 11.176 -5.601 1.00 0.00 H new ATOM 1479 N GLU A 92 -4.694 11.240 -7.472 1.00 0.00 N ATOM 1480 CA GLU A 92 -5.723 12.257 -7.290 1.00 0.00 C ATOM 1481 C GLU A 92 -6.971 11.920 -8.101 1.00 0.00 C ATOM 1482 O GLU A 92 -8.073 12.362 -7.776 1.00 0.00 O ATOM 1483 CB GLU A 92 -5.190 13.632 -7.701 1.00 0.00 C ATOM 1484 CG GLU A 92 -4.991 13.785 -9.199 1.00 0.00 C ATOM 1485 CD GLU A 92 -4.632 15.203 -9.598 1.00 0.00 C ATOM 1486 OE1 GLU A 92 -5.265 16.145 -9.077 1.00 0.00 O ATOM 1487 OE2 GLU A 92 -3.717 15.371 -10.432 1.00 0.00 O ATOM 0 H GLU A 92 -3.753 11.610 -7.603 1.00 0.00 H new ATOM 0 HA GLU A 92 -5.993 12.280 -6.234 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -5.883 14.399 -7.355 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -4.240 13.810 -7.197 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -4.202 13.108 -9.528 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -5.903 13.486 -9.715 1.00 0.00 H new ATOM 1494 N SER A 93 -6.788 11.136 -9.158 1.00 0.00 N ATOM 1495 CA SER A 93 -7.898 10.743 -10.019 1.00 0.00 C ATOM 1496 C SER A 93 -8.793 9.724 -9.320 1.00 0.00 C ATOM 1497 O SER A 93 -9.978 9.971 -9.098 1.00 0.00 O ATOM 1498 CB SER A 93 -7.371 10.160 -11.331 1.00 0.00 C ATOM 1499 OG SER A 93 -8.408 10.045 -12.291 1.00 0.00 O ATOM 0 H SER A 93 -5.882 10.760 -9.439 1.00 0.00 H new ATOM 0 HA SER A 93 -8.490 11.632 -10.236 1.00 0.00 H new ATOM 0 HB2 SER A 93 -6.577 10.796 -11.723 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.932 9.180 -11.146 1.00 0.00 H new ATOM 0 HG SER A 93 -8.045 9.672 -13.121 1.00 0.00 H new ATOM 1505 N VAL A 94 -8.216 8.577 -8.975 1.00 0.00 N ATOM 1506 CA VAL A 94 -8.960 7.520 -8.300 1.00 0.00 C ATOM 1507 C VAL A 94 -9.847 8.089 -7.199 1.00 0.00 C ATOM 1508 O VAL A 94 -11.074 7.995 -7.264 1.00 0.00 O ATOM 1509 CB VAL A 94 -8.013 6.469 -7.690 1.00 0.00 C ATOM 1510 CG1 VAL A 94 -8.790 5.489 -6.824 1.00 0.00 C ATOM 1511 CG2 VAL A 94 -7.251 5.739 -8.785 1.00 0.00 C ATOM 0 H VAL A 94 -7.236 8.356 -9.152 1.00 0.00 H new ATOM 0 HA VAL A 94 -9.585 7.041 -9.054 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.289 6.981 -7.056 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -8.105 4.754 -6.402 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -9.285 6.030 -6.017 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -9.538 4.980 -7.432 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -6.587 5.000 -8.336 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -7.957 5.237 -9.447 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -6.662 6.455 -9.358 1.00 0.00 H new ATOM 1521 N LEU A 95 -9.220 8.680 -6.188 1.00 0.00 N ATOM 1522 CA LEU A 95 -9.953 9.266 -5.071 1.00 0.00 C ATOM 1523 C LEU A 95 -11.100 10.139 -5.570 1.00 0.00 C ATOM 1524 O LEU A 95 -12.104 10.315 -4.880 1.00 0.00 O ATOM 1525 CB LEU A 95 -9.010 10.095 -4.196 1.00 0.00 C ATOM 1526 CG LEU A 95 -7.679 9.435 -3.831 1.00 0.00 C ATOM 1527 CD1 LEU A 95 -6.846 10.362 -2.959 1.00 0.00 C ATOM 1528 CD2 LEU A 95 -7.917 8.107 -3.127 1.00 0.00 C ATOM 0 H LEU A 95 -8.206 8.766 -6.119 1.00 0.00 H new ATOM 0 HA LEU A 95 -10.371 8.454 -4.477 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -8.799 11.032 -4.711 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.532 10.349 -3.273 1.00 0.00 H new ATOM 0 HG LEU A 95 -7.127 9.241 -4.751 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.903 9.876 -2.709 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -6.646 11.287 -3.499 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.392 10.588 -2.043 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.959 7.652 -2.875 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -8.490 8.276 -2.215 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -8.473 7.440 -3.786 1.00 0.00 H new ATOM 1540 N SER A 96 -10.944 10.680 -6.773 1.00 0.00 N ATOM 1541 CA SER A 96 -11.967 11.536 -7.365 1.00 0.00 C ATOM 1542 C SER A 96 -13.091 10.700 -7.968 1.00 0.00 C ATOM 1543 O SER A 96 -14.267 11.047 -7.854 1.00 0.00 O ATOM 1544 CB SER A 96 -11.351 12.435 -8.439 1.00 0.00 C ATOM 1545 OG SER A 96 -12.231 13.490 -8.786 1.00 0.00 O ATOM 0 H SER A 96 -10.120 10.542 -7.358 1.00 0.00 H new ATOM 0 HA SER A 96 -12.385 12.160 -6.576 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.409 12.847 -8.077 1.00 0.00 H new ATOM 0 HB3 SER A 96 -11.120 11.843 -9.325 1.00 0.00 H new ATOM 0 HG SER A 96 -11.814 14.051 -9.473 1.00 0.00 H new ATOM 1551 N ARG A 97 -12.721 9.598 -8.611 1.00 0.00 N ATOM 1552 CA ARG A 97 -13.698 8.712 -9.234 1.00 0.00 C ATOM 1553 C ARG A 97 -14.503 7.961 -8.178 1.00 0.00 C ATOM 1554 O ARG A 97 -15.731 7.904 -8.241 1.00 0.00 O ATOM 1555 CB ARG A 97 -12.997 7.717 -10.161 1.00 0.00 C ATOM 1556 CG ARG A 97 -11.939 8.352 -11.049 1.00 0.00 C ATOM 1557 CD ARG A 97 -11.792 7.601 -12.363 1.00 0.00 C ATOM 1558 NE ARG A 97 -12.910 7.855 -13.267 1.00 0.00 N ATOM 1559 CZ ARG A 97 -13.266 7.031 -14.246 1.00 0.00 C ATOM 1560 NH1 ARG A 97 -12.594 5.906 -14.447 1.00 0.00 N ATOM 1561 NH2 ARG A 97 -14.295 7.332 -15.028 1.00 0.00 N ATOM 0 H ARG A 97 -11.752 9.297 -8.715 1.00 0.00 H new ATOM 0 HA ARG A 97 -14.384 9.323 -9.821 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -12.532 6.937 -9.558 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -13.743 7.232 -10.790 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -12.205 9.390 -11.249 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -10.983 8.364 -10.526 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -10.861 7.896 -12.847 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -11.723 6.532 -12.163 1.00 0.00 H new ATOM 0 HE ARG A 97 -13.447 8.713 -13.140 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -11.802 5.672 -13.849 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -12.869 5.275 -15.200 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -14.814 8.197 -14.878 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -14.567 6.698 -15.779 1.00 0.00 H new ATOM 1575 N LYS A 98 -13.802 7.384 -7.208 1.00 0.00 N ATOM 1576 CA LYS A 98 -14.449 6.636 -6.136 1.00 0.00 C ATOM 1577 C LYS A 98 -15.295 7.558 -5.263 1.00 0.00 C ATOM 1578 O LYS A 98 -16.524 7.491 -5.280 1.00 0.00 O ATOM 1579 CB LYS A 98 -13.402 5.923 -5.279 1.00 0.00 C ATOM 1580 CG LYS A 98 -12.568 4.915 -6.050 1.00 0.00 C ATOM 1581 CD LYS A 98 -13.304 3.597 -6.221 1.00 0.00 C ATOM 1582 CE LYS A 98 -12.475 2.594 -7.009 1.00 0.00 C ATOM 1583 NZ LYS A 98 -12.979 1.203 -6.839 1.00 0.00 N ATOM 0 H LYS A 98 -12.785 7.420 -7.142 1.00 0.00 H new ATOM 0 HA LYS A 98 -15.104 5.893 -6.590 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -12.740 6.667 -4.836 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -13.904 5.413 -4.457 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -12.317 5.322 -7.029 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -11.628 4.743 -5.526 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -13.543 3.183 -5.242 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -14.250 3.771 -6.733 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -12.492 2.860 -8.066 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -11.436 2.646 -6.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -12.388 0.550 -7.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -12.939 0.940 -5.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -13.962 1.147 -7.173 1.00 0.00 H new ATOM 1597 N LEU A 99 -14.628 8.419 -4.502 1.00 0.00 N ATOM 1598 CA LEU A 99 -15.319 9.356 -3.622 1.00 0.00 C ATOM 1599 C LEU A 99 -16.261 10.254 -4.416 1.00 0.00 C ATOM 1600 O LEU A 99 -15.843 11.266 -4.979 1.00 0.00 O ATOM 1601 CB LEU A 99 -14.305 10.210 -2.858 1.00 0.00 C ATOM 1602 CG LEU A 99 -13.244 9.444 -2.067 1.00 0.00 C ATOM 1603 CD1 LEU A 99 -12.099 10.367 -1.678 1.00 0.00 C ATOM 1604 CD2 LEU A 99 -13.858 8.804 -0.831 1.00 0.00 C ATOM 0 H LEU A 99 -13.611 8.488 -4.476 1.00 0.00 H new ATOM 0 HA LEU A 99 -15.910 8.780 -2.910 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -13.799 10.861 -3.570 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -14.849 10.854 -2.168 1.00 0.00 H new ATOM 0 HG LEU A 99 -12.847 8.652 -2.702 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -11.353 9.805 -1.116 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -11.641 10.778 -2.578 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -12.481 11.181 -1.061 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -13.088 8.263 -0.281 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -14.283 9.579 -0.193 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -14.643 8.111 -1.132 1.00 0.00 H new ATOM 1616 N ASN A 100 -17.535 9.879 -4.456 1.00 0.00 N ATOM 1617 CA ASN A 100 -18.538 10.652 -5.180 1.00 0.00 C ATOM 1618 C ASN A 100 -18.685 12.047 -4.582 1.00 0.00 C ATOM 1619 O ASN A 100 -18.576 13.050 -5.287 1.00 0.00 O ATOM 1620 CB ASN A 100 -19.886 9.929 -5.154 1.00 0.00 C ATOM 1621 CG ASN A 100 -20.884 10.530 -6.125 1.00 0.00 C ATOM 1622 OD1 ASN A 100 -21.692 11.381 -5.754 1.00 0.00 O ATOM 1623 ND2 ASN A 100 -20.831 10.088 -7.376 1.00 0.00 N ATOM 0 H ASN A 100 -17.898 9.044 -3.995 1.00 0.00 H new ATOM 0 HA ASN A 100 -18.207 10.752 -6.214 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -19.736 8.877 -5.397 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -20.296 9.968 -4.145 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -21.477 10.455 -8.074 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -20.144 9.381 -7.638 1.00 0.00 H new